| Path |
Digest |
Size |
| vermouth/__init__.py |
sha256=cuWkN1nWuGPHbljAZyelqiTKBwfiLIfAzg80fS5ku1U
|
1786 |
| vermouth/citation_parser.py |
sha256=MPyhfYM7CqW7T3r83ln3_YFfYVxkKnAOasj7fSYZfTA
|
6848 |
| vermouth/edge_tuning.py |
sha256=XRsiFUjH1qgUx-jloX50SRtANCwgcPn3ukGLC2hNbUI
|
15338 |
| vermouth/ffinput.py |
sha256=jf3ZI7Md-ogpr87rHh3SL_MTshaA2dknVXF2DjoqmsY
|
44487 |
| vermouth/file_writer.py |
sha256=n2OMKx_-p-EJkEhp4nRuRNcsYf9sgz00UxRlrhF0ldU
|
7507 |
| vermouth/forcefield.py |
sha256=GKq0WaMVjpXdIyiEWwSUuVvceZSYquF4mZzzT45tdYY
|
6771 |
| vermouth/geometry.py |
sha256=lERQHMOr1ir1lWp0-z-vmZ0hgWA6M_tsPbRi6-s83DQ
|
3548 |
| vermouth/graph_utils.py |
sha256=kC18AbA0NZ6h2ceTUidZmMicLLXcgjOKcKP9m5-8hGI
|
13301 |
| vermouth/ismags.py |
sha256=FGImIYa8t5rgOn_Q4i87IvgrxEjUQVLIX7fTZuyze2I
|
43888 |
| vermouth/log_helpers.py |
sha256=PPM-aRXf2C2ht9zdWX4Zrh6b-R-JsPheGlX9Unq_PJc
|
10113 |
| vermouth/map_input.py |
sha256=xOh09OQGIwX2zwmdPeVLM20oaSCzIBEDPz1ifRrxFP8
|
20367 |
| vermouth/map_parser.py |
sha256=n8Y11xj9eO6JmJXipJLXxArBKhI_60btctbzMNh1voY
|
32806 |
| vermouth/molecule.py |
sha256=ZwQxReVXqhUQzWK9ZtCjvcqSaMsTwviHVczJns7zXyE
|
51961 |
| vermouth/parser_utils.py |
sha256=zKYx6RogEjx-fy1GDVrg8tsm21Jp8cc8Kfbz_yRuzT8
|
18045 |
| vermouth/selectors.py |
sha256=9gNuTi8GOp9A1_5ig1O1TCHvagqZPauFn_AANeNZSKA
|
4828 |
| vermouth/system.py |
sha256=UpYqWnsx3rrJp1jCIwjeJTcfnwesyzK2sVhRC_irXiY
|
2466 |
| vermouth/truncating_formatter.py |
sha256=o97h-qq3VwIpco1ll25MHweFu5ZEYeM3s63gY0z9EnA
|
5121 |
| vermouth/utils.py |
sha256=grVgWi7Ol5D-t206o7TT_MXyFXOsjcT3jhAxx-pliok
|
5830 |
| vermouth/data/quotes.txt |
sha256=blgOWozKTcOH5XYRUfSrzhzhI_8RZIIDPPfU9rCw1GY
|
2024 |
| vermouth/data/force_fields/amber/aminoacids.rtp |
sha256=vh6G7WI0rA8xNLaLCCXkvJio8R-_cAoc3aJhI_qBM6w
|
31105 |
| vermouth/data/force_fields/amber/modifications.ff |
sha256=1WVvXgKLz_57L4p6Z37GKPmjvb3Wsh5kQWEz2IEVLbw
|
2568 |
| vermouth/data/force_fields/charmm/aminoacids.rtp |
sha256=3lXyaII7IuqRHljPOG6g55xvBzjmMrxVd-TozelilcM
|
17278 |
| vermouth/data/force_fields/charmm/modifications.ff |
sha256=CK7bjpTTvBwq77nBYqlDTuf1MhYwk1MKiP-s9N8F8m8
|
3905 |
| vermouth/data/force_fields/charmm/small_molecule_charmm.ff |
sha256=ZRSzBNdEVX__5sQaaCVfjFjs4KtvuRQXvvnNBcNBkCk
|
1891817 |
| vermouth/data/force_fields/elnedyn21/aminoacids.ff |
sha256=8ZD4a_Qm9pJf_b3ao5WnAujBM1_NMjtKXqs-t2v1qe8
|
13873 |
| vermouth/data/force_fields/elnedyn21/citations.bib |
sha256=2NEf8gzSqYEf5UfIbXu5l7jQ33khjID1_76aNfvkts4
|
2473 |
| vermouth/data/force_fields/elnedyn21/general.ff |
sha256=i10j7c0YXB6-i_nL53vhrO22GXQvkkxNdMofiKb3YWA
|
622 |
| vermouth/data/force_fields/elnedyn21/modifications.ff |
sha256=f_GJhxM0Ktz96sEycSF2PruTFWqgl94Wi4PRdXsaWZA
|
562 |
| vermouth/data/force_fields/elnedyn22/aminoacids.ff |
sha256=0Fdx90WbScODUuVSOJhO0tK8Rz9sooMujyJvU-gZzk0
|
13894 |
| vermouth/data/force_fields/elnedyn22/citations.bib |
sha256=2NEf8gzSqYEf5UfIbXu5l7jQ33khjID1_76aNfvkts4
|
2473 |
| vermouth/data/force_fields/elnedyn22/general.ff |
sha256=i10j7c0YXB6-i_nL53vhrO22GXQvkkxNdMofiKb3YWA
|
622 |
| vermouth/data/force_fields/elnedyn22/modifications.ff |
sha256=B3VAVBTF41KafK1F4Xn19HVr6mbHb7EXwUSzXU5mOi8
|
762 |
| vermouth/data/force_fields/elnedyn22p/aminoacids.ff |
sha256=Yh96gi4-DBQ0LowhmvZWjhtuEzCdhb76PGftMVDnMIs
|
15893 |
| vermouth/data/force_fields/elnedyn22p/citations.bib |
sha256=2NEf8gzSqYEf5UfIbXu5l7jQ33khjID1_76aNfvkts4
|
2473 |
| vermouth/data/force_fields/elnedyn22p/general.ff |
sha256=i10j7c0YXB6-i_nL53vhrO22GXQvkkxNdMofiKb3YWA
|
622 |
| vermouth/data/force_fields/elnedyn22p/modifications.ff |
sha256=z6bkMeIvyzOSuxhjICEsKQhs3wy3F0kKeDABC3Wf_2A
|
390 |
| vermouth/data/force_fields/gromos/aminoacids.rtp |
sha256=eCBbW4g5FTUGJXR9M11dNJV__YyXYKk5xiXOZyWgzjQ
|
62511 |
| vermouth/data/force_fields/gromos/cofactors.ff |
sha256=L211iBh6HMy5t2HCW22Y2duu3mmWNX7THCNW9CEOlR8
|
9113 |
| vermouth/data/force_fields/gromos/modifications.ff |
sha256=EvWYnK929KWfXXPOOu2JARy0ZW-cMC-sXvaTLc9GThU
|
397 |
| vermouth/data/force_fields/martini22/aminoacids.ff |
sha256=ud8eDRqniYugwyhAwIPumJMTpf08opJphLoX9FMWOAI
|
21336 |
| vermouth/data/force_fields/martini22/citations.bib |
sha256=2NEf8gzSqYEf5UfIbXu5l7jQ33khjID1_76aNfvkts4
|
2473 |
| vermouth/data/force_fields/martini22/general.ff |
sha256=i10j7c0YXB6-i_nL53vhrO22GXQvkkxNdMofiKb3YWA
|
622 |
| vermouth/data/force_fields/martini22/modifications.ff |
sha256=Hnastmfl0Qx0bhauIND5T0Hk3Z36tFXviNtndldhLng
|
758 |
| vermouth/data/force_fields/martini22/nucleotides.ff |
sha256=81-28yn2Q5KkTkdUXSmdhZdHICydKVtwjHgNW0BH9xQ
|
4262 |
| vermouth/data/force_fields/martini22p/aminoacids.ff |
sha256=r1M03C8nRo29LLUDoZ0rWBlFGMgi7OSuFVDk6-TqeGE
|
21138 |
| vermouth/data/force_fields/martini22p/citations.bib |
sha256=2NEf8gzSqYEf5UfIbXu5l7jQ33khjID1_76aNfvkts4
|
2473 |
| vermouth/data/force_fields/martini22p/general.ff |
sha256=i10j7c0YXB6-i_nL53vhrO22GXQvkkxNdMofiKb3YWA
|
622 |
| vermouth/data/force_fields/martini22p/modifications.ff |
sha256=z6bkMeIvyzOSuxhjICEsKQhs3wy3F0kKeDABC3Wf_2A
|
390 |
| vermouth/data/force_fields/martini3001/aminoacids.ff |
sha256=Sp97mvMSeIIa8CK7PRTKyj9BDvCqE5Ao6ebku1ajKr4
|
31166 |
| vermouth/data/force_fields/martini3001/citations.bib |
sha256=AnLUMX9jWdqmdThSP1CWM9cpDOidC_cBPdVcsME9dFc
|
2704 |
| vermouth/data/force_fields/martini3001/general.ff |
sha256=i4dZCs5rzJTaowp-Q892CXrBpROvudpaRm9SV_1WY_o
|
677 |
| vermouth/data/force_fields/martini3001/modifications.ff |
sha256=_wWZkQBy3lIXg1EZLd5ZjwyDQJnYfyhWRzpPLko3rLE
|
2062 |
| vermouth/data/force_fields/martini3001/small_molecule_martini3.ff |
sha256=brlLgm49oIio69gc2vabnoYPOZdJNf1CoLXi24pWYJk
|
10570 |
| vermouth/data/force_fields/martini30b32/aminoacids.ff |
sha256=micfbuv2oDcXZ-IUv7mjdRFPWJ0DjL2D4NR0eZszr8o
|
20017 |
| vermouth/data/force_fields/martini30b32/citations.bib |
sha256=rVUgBp6xKBIcBD4UnxaMkFrQn9sm81Bhep1Q8Dc8mZQ
|
629 |
| vermouth/data/force_fields/martini30b32/modifications.ff |
sha256=ZyW-IO_lQvDaA9Fi701Zlv8oS0oSOUGiugGfdkQ2i4M
|
159 |
| vermouth/data/force_fields/martini30b32/small_molecules.ff |
sha256=HzQXYG5-drvowW_94zm-NtZOBvDPBp3KdmFO4_kDdUA
|
161 |
| vermouth/data/force_fields/martini30dev/aminoacids.ff |
sha256=6afFDyRTsAWR3F04onbRi5UtQuJRtf055a-_S7BQTcA
|
21438 |
| vermouth/data/force_fields/martini30dev/citations.bib |
sha256=rVUgBp6xKBIcBD4UnxaMkFrQn9sm81Bhep1Q8Dc8mZQ
|
629 |
| vermouth/data/force_fields/martini30dev/modifications.ff |
sha256=gqhVAkyUwq86Sm_FGekSLfhj-b2FZwrunSf3CjsawK0
|
321 |
| vermouth/data/mappings/ala.charmm36.map |
sha256=YWv1ev_AIVM0zvSGVZEy6CTxiNKxFhI_WF2Obh289so
|
996 |
| vermouth/data/mappings/ala.gromos.map |
sha256=Tu-UeSJyvrp2pJiOduaCKPmi1YgpruKCSAnDnqZVYQo
|
204 |
| vermouth/data/mappings/arg.charmm36.map |
sha256=ewCkmeLZnJ6EuLp5dTiIn_Pddo2voNJ2foUVVjWd5aA
|
1516 |
| vermouth/data/mappings/arg.charmm36.martini22p.map |
sha256=eXsUWd0Pu04Qz83Z6Xuy7bVmzSBTGK1Oiw6DK_tU9MA
|
1532 |
| vermouth/data/mappings/arg.gromos.map |
sha256=92LcNOvmfoxHnFEB8fO-XEBagnfxNOMsjrrnu_IGLw4
|
432 |
| vermouth/data/mappings/asn.charmm36.map |
sha256=z6WAKUFHdJ9hE9E0A1knvotHvT8VOPYYi86Hp3BsbnY
|
1114 |
| vermouth/data/mappings/asn.charmm36.martini22p.map |
sha256=ocss7GZZDVa-g4OyWxrGzNQj7htAVwBCauwrMIgSUok
|
1134 |
| vermouth/data/mappings/asn.gromos.map |
sha256=Wo58QshQkZcWoAbAfrZBLdytc0eer11W3onIPx5wbVQ
|
311 |
| vermouth/data/mappings/asp.charmm36.map |
sha256=_QdMRF8vuYBmRgJypKdEFMtmoT8iuBpn3Eib9ON7-z4
|
1097 |
| vermouth/data/mappings/asp.charmm36.martini22p.map |
sha256=HvvYyKuZO4ZRpzklhxJ3oyXGSHFT98dfto97NnzMHNY
|
1113 |
| vermouth/data/mappings/asp.gromos.map |
sha256=EkoI6kWXnpxqLTdu1MjKvVbTDBtsC79wRA3l07bYUJk
|
274 |
| vermouth/data/mappings/asp0.gromos.map |
sha256=Bf6IegTqsH6BxQmg_5o5BhcO1ZLIUvqlvKvrS755dY4
|
262 |
| vermouth/data/mappings/chol.charmm36.map |
sha256=QYhrRmEarErlF7NPMQR8-SfcEOL90E4zzvQCrgffOgo
|
2836 |
| vermouth/data/mappings/cys.charmm36.map |
sha256=3z2nRkhywTkvumQDjmwtUvanOYtBlgi37COg-mfAqoI
|
996 |
| vermouth/data/mappings/cys.gromos.map |
sha256=pLyfdSZA0nEXEq7wxPGYy8KMw3na7e5x437qED_QHJQ
|
247 |
| vermouth/data/mappings/dmpc.charmm36.map |
sha256=LdNK-e7x5bMPOZc5XnAXe4UsuMXDVYS2OINLlugUucU
|
3928 |
| vermouth/data/mappings/dopc.charmm36.map |
sha256=EjGKHf7ho1fuQ8Fq_eBqqV-cu0RuSHluebIUw-zX34M
|
4679 |
| vermouth/data/mappings/dppc.charmm36.map |
sha256=wIqZe9JOms3AhDZvU6uqXyW7ab0vRdoLnKv4OKMBAbo
|
4286 |
| vermouth/data/mappings/dppg.charmm36.map |
sha256=kpa0VdJMoxPgMLAmh2-vFWjLrqjX9rE_1-TiOzlxPA4
|
3317 |
| vermouth/data/mappings/fmn.gromos.map |
sha256=F2PqCO22Ty-hxmi-l22vWFUTEAwtMTK4olGtOZ8Z7Lo
|
757 |
| vermouth/data/mappings/gln.charmm36.map |
sha256=XgtSzfL-uO5CJK1UHrW2hvxT9OCqgYq0bEMNluJga-A
|
1112 |
| vermouth/data/mappings/gln.charmm36.martini22p.map |
sha256=YWhaVQsFjldxQjbkbMFBUoleaZQWYhDZDeQARB3ZGXQ
|
1132 |
| vermouth/data/mappings/gln.gromos.map |
sha256=EYfPJ3AYhumTzhFtyWzEQ8EnDDPxr2lHY1up5AD-Huo
|
330 |
| vermouth/data/mappings/glu.charmm36.map |
sha256=laIhvWSk0_TWQQ6X5wTgKbF4YiBb4VJPLzCS5OTT0wE
|
1153 |
| vermouth/data/mappings/glu.charmm36.martini22p.map |
sha256=ks6cUS7apsiuB6HH4XMynTvJT6p-g8oqmyY-4YUGqOA
|
1169 |
| vermouth/data/mappings/glu.gromos.map |
sha256=NB-PcSQqlCZNn9OFCbDNG68tIkI4O_KvMNz1Jcby4so
|
328 |
| vermouth/data/mappings/glu0.gromos.map |
sha256=mCrp_fMgTUFoZpb46YPvPeHU17SbYI28mNB9RfxRGSw
|
312 |
| vermouth/data/mappings/gly.charmm36.map |
sha256=8CJOGHfMZiGmc_lrZcPmCAbsorMCzEheqe2wF4CdV-E
|
794 |
| vermouth/data/mappings/gly.gromos.map |
sha256=wK0ubTgRdv-s725KNO86wIHFKlUlctBlcnFPx_yWsUc
|
186 |
| vermouth/data/mappings/his.charmm36.map |
sha256=0i6TjMUS-9irUlYQmf6w-HnoG3WXjV4wVNJ-fL8dEsk
|
1335 |
| vermouth/data/mappings/his.gromos.map |
sha256=Nc5L23Bb1_Sp9-oa365dkh_T-yZWpl7qe8g2mX-17FU
|
393 |
| vermouth/data/mappings/hsd.charmm36.map |
sha256=keJRLCQw7yZJbTuCKbJYKnFO8tVgFlU6vMJR7vWhuic
|
1201 |
| vermouth/data/mappings/hse.charmm36.map |
sha256=-WdZqjfjFYHWK2G5EBcY3KRGDOmwld9Ailm0Sq8ri3E
|
1201 |
| vermouth/data/mappings/hsp.charmm36.map |
sha256=3lxn_nswgkk_T9JtT18rFUKgN2iOHfQuD5-t3DG3LoQ
|
1201 |
| vermouth/data/mappings/ile.charmm36.map |
sha256=s9UAxnc6ShAChLUSdQ0ZP7hkpS16AG2MNvZUccN0ngA
|
1415 |
| vermouth/data/mappings/ile.gromos.map |
sha256=DJf1L7UXcMb1QxdLRFvbfSSWd2Ugd9wEJB4JCwPq8Z8
|
282 |
| vermouth/data/mappings/leu.charmm36.map |
sha256=FzdjGWiD6bHBDUBKpfjIXtY2q4MkHErhoS3cUOaFuyc
|
1102 |
| vermouth/data/mappings/leu.gromos.map |
sha256=Z98J4mLpRNLYJmmIQYNmDP3f4Wx5v04qEUWCg2r0fjo
|
275 |
| vermouth/data/mappings/lys.charmm36.map |
sha256=Db7N1RQ-pyJxPm-NQySEr6HK07hi7le3zxe08YUGcuo
|
1268 |
| vermouth/data/mappings/lys.charmm36.martini22p.map |
sha256=s03tnzZjl9mzKj4OXK2erJPYWUfGH58kksj-AMLX45w
|
1284 |
| vermouth/data/mappings/lys.gromos.map |
sha256=xHYpuuPuwc7c_D0hEJVyUgsMILC0VRmDoclGtZtqbZo
|
368 |
| vermouth/data/mappings/met.charmm36.map |
sha256=ct9UCxB34o0RALgyx6U3nKYAPNocgz2f2bmS8sh5fqs
|
1184 |
| vermouth/data/mappings/met.gromos.map |
sha256=r2XfPareScL0etyajDW1e8knfS43rqFSlbc4W1VOpR4
|
278 |
| vermouth/data/mappings/modifications.gromos.mapping |
sha256=WQ9KLCf8p-DkpFiCeV9YKcUJ9HBTmyDUuPGzCH3hb0k
|
370 |
| vermouth/data/mappings/modifications.mapping |
sha256=xs4gkeneZ7RxZaT8KS_gvkbT2dZ2VAuJGj2kEO2q0fQ
|
2267 |
| vermouth/data/mappings/nad.gromos.map |
sha256=173-ASE4wspy4xC65VDlVuB-tZqx7Q8ezcC1XyBIo0Y
|
1229 |
| vermouth/data/mappings/phe.charmm36.map |
sha256=2Y-mMEpak5KzEqP_2lmcyGoFAqSyKHeaPy2lfvoXvP0
|
1519 |
| vermouth/data/mappings/phe.gromos.map |
sha256=6Re2q-DNEQYLVePO9QdN_2H_o1C4YHoGmcHXwgfmhP4
|
501 |
| vermouth/data/mappings/popc.charmm36.map |
sha256=bIybm7j-PLH7PkQ598kH_9PcaDiEjep29AVEdKOtFDE
|
4512 |
| vermouth/data/mappings/pope.charmm36.map |
sha256=eGnjXFw2ZHDeSRJKDsjZd6ef0TCOVqrTqIQeDrSfb8o
|
4029 |
| vermouth/data/mappings/popg.charmm36.map |
sha256=1KMg-VR-8c3AxPLNLf99zq-o5Vu3EVx1poACsp8ldmc
|
4115 |
| vermouth/data/mappings/pops.charmm36.map |
sha256=G0qK20dgP7bD7CMtcQMhRFruI5ZMY4pWFbZ8HefkJBg
|
4079 |
| vermouth/data/mappings/pro.charmm36.map |
sha256=EXqhYvzY3wzR7Pv-VPbqpCPaq2xaH8oOA_eWpKnYwLs
|
996 |
| vermouth/data/mappings/pro.gromos.map |
sha256=vxmCLNLYw01m_WgH3UZz207FoQf5EcWVelw2xT9YY2U
|
229 |
| vermouth/data/mappings/ser.charmm36.map |
sha256=vlCj31o52s8lLqattQ-FCFPVHrCideTknSDJgV-hWrY
|
1003 |
| vermouth/data/mappings/ser.charmm36.martini22p.map |
sha256=4Dy3WB3GYsHEdC8uotKf01cO-33P4-G2zEufDN_SStc
|
1023 |
| vermouth/data/mappings/ser.gromos.map |
sha256=F_y8v38xE_rrXramA5f0dUqG_umsVoBUSsQyaNBrlLg
|
257 |
| vermouth/data/mappings/thr.charmm36.map |
sha256=g_b0VNAfri3fF233J8UyQ0KxB8Dxf-InK5S2OI_2Uvs
|
1157 |
| vermouth/data/mappings/thr.charmm36.martini22p.map |
sha256=LDORHDnMWcDPJ2W7rAYhpVGL6HRlVsOqBD2BQhzrGF8
|
1177 |
| vermouth/data/mappings/thr.gromos.map |
sha256=U5VlReqlJTajuqxNGcAOfO99z_1l-OEI2zGvGuivTyw
|
283 |
| vermouth/data/mappings/tpp.gromos.map |
sha256=vtZxOK8T-ugnp43UcGRc2DBwabuTaWndS6UQLK1YNck
|
677 |
| vermouth/data/mappings/trp.charmm36.map |
sha256=PjJeNdSJ3pbixeuqEmQvJntDLKEDD8N3L9GbZqUSEQI
|
1389 |
| vermouth/data/mappings/trp.gromos.map |
sha256=Pr9pgUmWGv1lBRSfXLlnScIiYYnLc7E9W1OFadz_6LE
|
732 |
| vermouth/data/mappings/tyr.charmm36.map |
sha256=jcNVEvH8JyhDtleZ5XFvzAP3VWoY-GG9Nr7uhFQGBXo
|
1494 |
| vermouth/data/mappings/tyr.gromos.map |
sha256=bNlJya29EliyI8a6ZiIPKYBoR4Qocf4of1vjphtGlFQ
|
584 |
| vermouth/data/mappings/val.charmm36.map |
sha256=ztGjXV6QMHoEX-Ugqv1715zO1Gs8h21YduIaaVZ23Pg
|
1070 |
| vermouth/data/mappings/val.gromos.map |
sha256=ECtomdxFF9zMwBVLW0KJx36xbFWOKNkuqdfznsJNxsM
|
248 |
| vermouth/data/mappings/elnedyn/ala.charmm36.map |
sha256=xbq27w9HaWMHXNt55oYh_W_gBazjkp19LjK7QPJbnAI
|
1009 |
| vermouth/data/mappings/elnedyn/arg.charmm36.map |
sha256=PJqR8HRBisaw-yNKPFzjzBSCFK_zgeQ5hxQvLx-6nyU
|
1528 |
| vermouth/data/mappings/elnedyn/asn.charmm36.map |
sha256=5m-kU3PqYJrGXSsr_GPJCskpVwoABDZAgoRTR4TzuLo
|
1126 |
| vermouth/data/mappings/elnedyn/asp.charmm36.map |
sha256=7HWXq4qXs7bYPMB8uxIcP95ox7fmsqgZRd9fHVRu8xI
|
1109 |
| vermouth/data/mappings/elnedyn/chol.charmm36.map |
sha256=ini-TyyO_FQmzMkhdfYm__3g_6lkWmPhJxWlGsK_MeU
|
2813 |
| vermouth/data/mappings/elnedyn/cys.charmm36.map |
sha256=UThTFQE5nh8vn_WSZHQHxhD6vX74-dJgPYjVwNUBTQM
|
1008 |
| vermouth/data/mappings/elnedyn/dmpc.charmm36.map |
sha256=ZlJdASs0bh12vJjK7tKNtkUwBTSi3cybKz5LmyYW2zg
|
3936 |
| vermouth/data/mappings/elnedyn/dopc.charmm36.map |
sha256=vtQAwwBxkIYj0wh6Ow-AQI2GN-O00WCmvAL4PwPzZUM
|
4687 |
| vermouth/data/mappings/elnedyn/dppc.charmm36.map |
sha256=3VDp8He6-VPC2nQcn09L5OZjWRcSWkk8cr8X8qxhcvg
|
4293 |
| vermouth/data/mappings/elnedyn/dppg.charmm36.map |
sha256=K93tpx1PXDmTuWQcy7VLwsxL1WK8vl7rjPQbvDFdaEE
|
3325 |
| vermouth/data/mappings/elnedyn/gln.charmm36.map |
sha256=srCwDHqLNPqFUjDiU24mGuTnV6EL8_DlrqH12oMZI2Q
|
1124 |
| vermouth/data/mappings/elnedyn/glu.charmm36.map |
sha256=sGN70zPq8mDt1dzpmoAZpGIZybedMYIB5R_HMb4BpC0
|
1165 |
| vermouth/data/mappings/elnedyn/gly.charmm36.map |
sha256=4BZmu3PJORoTwZicpbzPE0qum4BcacTAyZKVV-45kWI
|
806 |
| vermouth/data/mappings/elnedyn/his.charmm36.map |
sha256=_du0PVZNSg6onncwI_uJhBQu3v5t8nJxITQahzCcbjo
|
1347 |
| vermouth/data/mappings/elnedyn/ile.charmm36.map |
sha256=qlPK1tRs4HMKbJ-_1DzdNeTwu-oDdHj_ps6MmeqJWE8
|
1427 |
| vermouth/data/mappings/elnedyn/leu.charmm36.map |
sha256=1c4EXk1lWTBryT5JRfMSNzp4Jlp4KHM2AmWS4T-JwSE
|
1114 |
| vermouth/data/mappings/elnedyn/lys.charmm36.map |
sha256=Rmlo7LhQ4oZAZHHRf-8NFsPPcazl9jzTA9M4CHEI-4U
|
1280 |
| vermouth/data/mappings/elnedyn/met.charmm36.map |
sha256=TgHwG3PrlpXQW2n3cUMzOgEthsH84PS07ojpM_lrrgc
|
1196 |
| vermouth/data/mappings/elnedyn/modifications.elnedyn21.mapping |
sha256=f_FjLSY4pWT3Q1nIhXiZ7gTPycizCUyGWYjIKswd2g4
|
1242 |
| vermouth/data/mappings/elnedyn/modifications.elnedyn22.mapping |
sha256=SbYYJD0pmGR-aRhN1MDWrq7KC-xdEyJ7iyJGlP43zq8
|
1749 |
| vermouth/data/mappings/elnedyn/modifications.elnedyn22p.mapping |
sha256=nEhskEDGByzejte3NvNT9AxqR3Ws9sagH1LIbkH8VA8
|
801 |
| vermouth/data/mappings/elnedyn/phe.charmm36.map |
sha256=A4N4HZ6LREjhPBs85sUpQxrQXCVr_2yUQkgqQqJokcY
|
1531 |
| vermouth/data/mappings/elnedyn/popc.charmm36.map |
sha256=a5lBDYZTpilJCz4dKWDmD3tPtM983NpaTPhaan2Bm-w
|
4551 |
| vermouth/data/mappings/elnedyn/pope.charmm36.map |
sha256=Lm5Vpvzhx1jgZwh2SpOTirenLvTV0ZNYWQaYRO4OEOA
|
4068 |
| vermouth/data/mappings/elnedyn/popg.charmm36.map |
sha256=KkiDMHX1WO8DUkr4PCRAJ_CVwvpZe6yUo7wZ_RCjAP0
|
4154 |
| vermouth/data/mappings/elnedyn/pops.charmm36.map |
sha256=QxMf12SIfHrLq0ikDi2pD-chOhdBpNIlqI4jqtsys0w
|
4087 |
| vermouth/data/mappings/elnedyn/pro.charmm36.map |
sha256=6KYXEBe2maSuowDwFYEGz8BKGOp7kgFKR6d6R8v4968
|
1007 |
| vermouth/data/mappings/elnedyn/ser.charmm36.map |
sha256=FnbXKIkxeULRNlbjpaHD6-QQeElmEkbw1OrSwSdE3kU
|
1015 |
| vermouth/data/mappings/elnedyn/thr.charmm36.map |
sha256=SwR5zDbw6sojHkcXwRi-BMlrrlZQWpMP-GqKzqwpsQs
|
1169 |
| vermouth/data/mappings/elnedyn/trp.charmm36.map |
sha256=nKocqokW1kGd_DADgxZluuE-RXIz6PwxVQdNYnOZ_B0
|
1401 |
| vermouth/data/mappings/elnedyn/tyr.charmm36.map |
sha256=PQCNB4U_1yHTdMfoMKVXtVYjgQU5SnWaDsUoO-cog8w
|
1506 |
| vermouth/data/mappings/elnedyn/val.charmm36.map |
sha256=DXiAICOix4yl5DCiG3QBX-D3nNSHSwysfBvcpw0rQtg
|
865 |
| vermouth/data/mappings/elnedyn/elnedyn22p/arg.charmm36.elnedyn22p.map |
sha256=XXVcblsJ9FolvDaNWua1pL7wghhu4PdJanH5QPeg3s8
|
1534 |
| vermouth/data/mappings/elnedyn/elnedyn22p/asn.charmm36.elnedyn22p.map |
sha256=jCTi7JEKkoyMJd-b6hKfM5gpviCvpoFu40UxLPGENjI
|
1136 |
| vermouth/data/mappings/elnedyn/elnedyn22p/asp.charmm36.elnedyn22p.map |
sha256=tp3ahfaH-qFfE-hgFlDYT8aLNDC0W33bt_z6RrTXnL4
|
1115 |
| vermouth/data/mappings/elnedyn/elnedyn22p/gln.charmm36.elnedyn22p.map |
sha256=kh-kq-KJrZLvDLokpWFQig7liU_VPdKmCgQqpEKJ8B0
|
1134 |
| vermouth/data/mappings/elnedyn/elnedyn22p/glu.charmm36.elnedyn22p.map |
sha256=ZEHj-W2zr6dL4OQJ4tj6k-nBMownxVSklf9jXi-bx8k
|
1171 |
| vermouth/data/mappings/elnedyn/elnedyn22p/lys.charmm36.elnedyn22p.map |
sha256=DbRS_ClLSd-16ZK7sTPN8RIHoZbDEyAf_Pix8iPOHAI
|
1286 |
| vermouth/data/mappings/elnedyn/elnedyn22p/ser.charmm36.elnedyn22p.map |
sha256=jGVdhR6mTflKUAWGYyFkpDjGuylZzCPk_I-ABCJzbzw
|
1025 |
| vermouth/data/mappings/elnedyn/elnedyn22p/thr.charmm36.elnedyn22p.map |
sha256=zCisg8ihpeuBFAZ5KoasIrCH_CEllNv3FITYR-eDbx4
|
1179 |
| vermouth/data/mappings/elnedyn21/ala.charmm36.map |
sha256=3-mrkDhd6hFR4x_gx9EqsBOCEMjKYfgFGdW7IAcctbo
|
1012 |
| vermouth/data/mappings/elnedyn21/arg.charmm36.elnedyn22p.map |
sha256=7PktQhgAya58NftgJwNxFRRawp3c8HIVvDfbIjh_Oc4
|
1537 |
| vermouth/data/mappings/elnedyn21/arg.charmm36.map |
sha256=Ciod2l6iCzCafOsIFB38Gv_lN6Fkne3O35DKcFijK7M
|
1531 |
| vermouth/data/mappings/elnedyn21/asn.charmm36.elnedyn22p.map |
sha256=Szfa6GTuEnqvUUXHXu_mpV3TiFQcPHoh7KZ8j1dAX5M
|
1139 |
| vermouth/data/mappings/elnedyn21/asn.charmm36.map |
sha256=FoQGVsnANOyexm10SWYSb3ML8AmGytF8fk72Pa_D5lo
|
1129 |
| vermouth/data/mappings/elnedyn21/asp.charmm36.elnedyn22p.map |
sha256=PAQcIxvjqIVr_z9PDP7ypKW3Fkn7o7xtM92nziGnNcY
|
1118 |
| vermouth/data/mappings/elnedyn21/asp.charmm36.map |
sha256=b8BLg9wN8a6nF9j6kFQxjTDuPmHBqn9seDT2r8Ya80A
|
1112 |
| vermouth/data/mappings/elnedyn21/cys.charmm36.map |
sha256=DoRIDQ-vmopme2i7bEpgp0gpaFqtCyLt0x6yNMjiScc
|
1011 |
| vermouth/data/mappings/elnedyn21/gln.charmm36.elnedyn22p.map |
sha256=Uiq6nKPsIRNpYwXeEzx_pdJToAvLdtfhRjs6z-pEDYA
|
1137 |
| vermouth/data/mappings/elnedyn21/gln.charmm36.map |
sha256=WFzXTNblLL8YBU5a7g9JMwnU8-TKm0cKmsYgtdQeOs8
|
1127 |
| vermouth/data/mappings/elnedyn21/glu.charmm36.elnedyn22p.map |
sha256=Leg2PsSrHBBbJTzQZLOML8UXFpD8VZKMwH_pnvwct0M
|
1174 |
| vermouth/data/mappings/elnedyn21/glu.charmm36.map |
sha256=kOChhHiEdKIIekuSsG6xNYVAd_STAu1ecPw21UKtsQs
|
1168 |
| vermouth/data/mappings/elnedyn21/gly.charmm36.map |
sha256=DOCeZ6c71BETIUWzJyL8ZhCA9d3nGbn_RrudDNWe8mE
|
809 |
| vermouth/data/mappings/elnedyn21/his.charmm36.map |
sha256=6w36RtVATJXRodjlPUnIQTaHraZd4RFIgjFAVWzSLi0
|
1350 |
| vermouth/data/mappings/elnedyn21/ile.charmm36.map |
sha256=7A2uNI0pvJW1KIm6s2T5P1NTItAzOIePz46zE2mopVo
|
1430 |
| vermouth/data/mappings/elnedyn21/leu.charmm36.map |
sha256=p8IsORiMbap4-nQHhJSH2KWc3l_guBRCbiezlnPt6XQ
|
1117 |
| vermouth/data/mappings/elnedyn21/lys.charmm36.elnedyn22p.map |
sha256=13PRk1aJKk7RkJ47LyuOMlNhcuA1D11PaEkKO6KrOaQ
|
1289 |
| vermouth/data/mappings/elnedyn21/lys.charmm36.map |
sha256=GlEFf8nW21Njh4UxKcBPJ7ho3clGVVJf12hU9KYlGnY
|
1283 |
| vermouth/data/mappings/elnedyn21/met.charmm36.map |
sha256=u63YpGl2IYK6Ip4034GG4lvJkuHMgoLEoJhL89s_KEU
|
1199 |
| vermouth/data/mappings/elnedyn21/modifications.mapping |
sha256=swFtv2KipN_9VkAj4Wh2vjlWfEZaYl4BsWLHCa4G3ZQ
|
797 |
| vermouth/data/mappings/elnedyn21/phe.charmm36.map |
sha256=1JZTEiwRmBWOATiUA1tSPGumz5D7S1mtwSv7bHW0KKg
|
1534 |
| vermouth/data/mappings/elnedyn21/pro.charmm36.map |
sha256=cwvkmKhsbzflh9Qly_w_k34yAuEzyNhDfeyA-5hZ0I8
|
1010 |
| vermouth/data/mappings/elnedyn21/ser.charmm36.elnedyn22p.map |
sha256=dcPmd7pxEgJyBf4lF5Aq7R78PjHJ91y8CJUs2mIWWTU
|
1028 |
| vermouth/data/mappings/elnedyn21/ser.charmm36.map |
sha256=iIDK0mVFrmQxCa4MuxxpUacXp2RGBPujTJBEBXsDnQA
|
1018 |
| vermouth/data/mappings/elnedyn21/thr.charmm36.elnedyn22p.map |
sha256=k6n2EnkhUs7lqgvjXOHeYpgWyi-pRiDSoi5uk9nVjew
|
1182 |
| vermouth/data/mappings/elnedyn21/thr.charmm36.map |
sha256=O-BIw1o9qBiofNqIcpuxhIbKmlE6tUi73Y22LYytHOs
|
1172 |
| vermouth/data/mappings/elnedyn21/trp.charmm36.map |
sha256=n3oy7nxVwS7U5i6AQ4wUJjqClldCgDaEaWA_WeTL-JY
|
1404 |
| vermouth/data/mappings/elnedyn21/tyr.charmm36.map |
sha256=o-xDrJF-6zn4IOq6oFm7OUC9Bg_nOSDkWmP1ovoJGbk
|
1509 |
| vermouth/data/mappings/elnedyn21/val.charmm36.map |
sha256=9RYXD9PRqXqqIoHusTclvmTYus7-MFR2TZ4ouBunPG8
|
868 |
| vermouth/data/mappings/martini3001/ala.amber.map |
sha256=CLkKuaq2gVMlZzmct3dd12T5a0SfCT0KiWQ3BcLVGwY
|
1068 |
| vermouth/data/mappings/martini3001/ala.charmm36.map |
sha256=M1Are4z50TGjZgi49shyYMYLuWgMm9JhKhOZIMHpKFA
|
1071 |
| vermouth/data/mappings/martini3001/antr.charmm36.map |
sha256=aSW8GRgSF9Wtwn2YwOOnaMYbbv8_8usz9hw859wBvx8
|
342 |
| vermouth/data/mappings/martini3001/arg.amber.map |
sha256=VDD1VC8-y8sra9d0KRw75DSUQ7UKcDy8fHGhUbXX60I
|
1648 |
| vermouth/data/mappings/martini3001/arg.charmm36.map |
sha256=NIETkMiR0B0BnGimVvDaEYW6KU-0-GAlDJS0_KztZis
|
1651 |
| vermouth/data/mappings/martini3001/ash.amber.map |
sha256=zVeH-14tVBhUE5gWoIdHipEyIZfhOS7IdzgOObDoYno
|
1086 |
| vermouth/data/mappings/martini3001/asn.amber.map |
sha256=mdbKN2EzZFR51SoZVwcY1QEmHeMc7VE94ltDlj3T21Q
|
1113 |
| vermouth/data/mappings/martini3001/asn.charmm36.map |
sha256=TjdvcFHp_pIAXR7nYBsTI-VlHzHyFoxKrbCSOTFFcBk
|
1116 |
| vermouth/data/mappings/martini3001/asp.amber.map |
sha256=F74I_IMV_Z2nCmUONTu6TBkiLwYd6eU1Zr5zAMZYkkE
|
1096 |
| vermouth/data/mappings/martini3001/asp.charmm36.map |
sha256=mvjJIC7TXY5BBr_45U6LF_PsgwqluWSe9SNCZV3Vp4Y
|
1099 |
| vermouth/data/mappings/martini3001/aspp.charmm36.map |
sha256=8ATWU8V40SMtyCz8QKU4OKzysTj0Q4TaM7Vq44Qgxs8
|
1100 |
| vermouth/data/mappings/martini3001/bald.charmm36.map |
sha256=FFD0JJFxRA-qa6MMXYPJ2vU533XBTtQnJan1knyk2II
|
230 |
| vermouth/data/mappings/martini3001/benz.charmm36.map |
sha256=DPmINHLUuUUIrklJV2Zqrjx4rEXOQ3d6pjDcDiS8s08
|
222 |
| vermouth/data/mappings/martini3001/c3.charmm36.map |
sha256=otWFy1VaKmNM4PQQJ5D6nZYq-icY-vvxKph-Waugb0w
|
184 |
| vermouth/data/mappings/martini3001/chxe.charmm36.map |
sha256=3Ij15E8je0UksIs_LFThsc7fB_fTPpaaQB0akfIonEU
|
256 |
| vermouth/data/mappings/martini3001/cpen.charmm36.map |
sha256=ZQSXaBNOReA_cRiCo0Bo0hExzPQErptQFAnNyJyVcbI
|
248 |
| vermouth/data/mappings/martini3001/cume.charmm36.map |
sha256=_0Q85MO1GvoLlUs360iG3ussZ_oFd5NSlJsTHinxtIY
|
305 |
| vermouth/data/mappings/martini3001/cys.amber.map |
sha256=KQOG9kES1qx0csvnL0i57Ico2QaAeLyznojlL0jwbcI
|
1059 |
| vermouth/data/mappings/martini3001/cys.charmm36.map |
sha256=ssImCPQEmLJ7-Uwsi1hETZE_60its5uurbkfxlRV1Xc
|
1062 |
| vermouth/data/mappings/martini3001/diol.charmm36.map |
sha256=7HyJtIXRLEOhAGaNWEkuKU6qVeKBLLy09Z6mNpBYVSg
|
208 |
| vermouth/data/mappings/martini3001/diox.charmm36.map |
sha256=y70xZwhUP7uZ3ITpFgnlTFb5slVjLCyIFE3PZwVhReY
|
237 |
| vermouth/data/mappings/martini3001/dman.charmm36.map |
sha256=ttAPiSIwpdHSq79zXbbXmIQj5uyfpfdVynkY8ZbTH2U
|
286 |
| vermouth/data/mappings/martini3001/eben.charmm36.map |
sha256=9LDhqc-fvdGnT3ef-Q47-O0BndXgU5uQeVldIQEQVQg
|
273 |
| vermouth/data/mappings/martini3001/fura.charmm36.map |
sha256=6BfbCz2uWcSJ5oqnJnz1UflU3mLYmjmAPEgVBQhwWn4
|
187 |
| vermouth/data/mappings/martini3001/glh.amber.map |
sha256=2eTdMzansc5krbe5sDqzKA1qjo-Piu4sgXBB4N-RZ8U
|
1142 |
| vermouth/data/mappings/martini3001/gln.amber.map |
sha256=G_cH_TPgzyABvuViVuR4IuUyM7b_OgCdXgV3o8oxZko
|
1206 |
| vermouth/data/mappings/martini3001/gln.charmm36.map |
sha256=tvgsAta2hMbp7zxriCw0Q-I9RzX85owhK3u90OxGntc
|
1209 |
| vermouth/data/mappings/martini3001/glu.amber.map |
sha256=8cPaiVFkusciIOIX4agVG8Pc7FX4Gs3qRKXG9gT6lzw
|
1152 |
| vermouth/data/mappings/martini3001/glu.charmm36.map |
sha256=E501GRXm4VNB-2hDuAf_WbCbbradu_pJJZq_jf6Y1xs
|
1155 |
| vermouth/data/mappings/martini3001/glup.charmm36.map |
sha256=c3uDzTrZJ1u4Tdl4KoWEj2zwRd_aF-KuVfC_Mz8_Hnw
|
1156 |
| vermouth/data/mappings/martini3001/gly.amber.map |
sha256=vzMEsQYgf32oZxvA_I8nSkgNZrp5wC4lKZOQUcVJlTc
|
820 |
| vermouth/data/mappings/martini3001/gly.charmm36.map |
sha256=vOAhPep0VYNe29xsyR4TRecquZ3ee0u-NSJl235taLE
|
823 |
| vermouth/data/mappings/martini3001/hid.amber.map |
sha256=InxHqAgyAEPBWZ39Um1zFgt-nC98h_90xo7Dc9yRbQM
|
1003 |
| vermouth/data/mappings/martini3001/hie.amber.map |
sha256=idav7jDqGSYq6sQRuePy_QO58z17lme2kL5NiJuBOYw
|
1248 |
| vermouth/data/mappings/martini3001/hip.amber.map |
sha256=kZB3_twzyyi41vfewzKIexnHNUz_G0DSYLvk9xn7t3w
|
1248 |
| vermouth/data/mappings/martini3001/his.amber.map |
sha256=ynYNfpp-dhaV5hZx56BTyJu3Q1AhzWPFE7HZ_r7MBj0
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997 |
| vermouth/data/mappings/martini3001/his.charmm36.map |
sha256=zzJoBUETNJU06vTzQwDUmtf_IRv5E_DgTnFukMVNc7o
|
1251 |
| vermouth/data/mappings/martini3001/hsd.charmm36.map |
sha256=0YrpjymF0Pd0r0RFhJykD5U10anwv8dXPuMjabDM0Oc
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1251 |
| vermouth/data/mappings/martini3001/hse.charmm36.map |
sha256=wLHVwy0nX_kyfKaYlHlDMkvrxZrXnIbYYuSQZoyY_84
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1249 |
| vermouth/data/mappings/martini3001/hsp.charmm36.map |
sha256=nvI2XuORi484mlST827bY1SIneOp_Y4L0Tb7tiWIX8I
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1251 |
| vermouth/data/mappings/martini3001/ile.amber.map |
sha256=yzJLgddSpLIRMIRTwkZ6TQUzN8Ist8ORodUUYZ1JlDI
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1403 |
| vermouth/data/mappings/martini3001/ile.charmm36.map |
sha256=NljUjUfigyryMOXSt9tcnjZC6wi-VDUiDiJhLBhplvo
|
1406 |
| vermouth/data/mappings/martini3001/imia.charmm36.map |
sha256=7blh5OGdc47r495xz-1FSiNVG7Vhmgm1-B8CeJ2uKms
|
194 |
| vermouth/data/mappings/martini3001/inda.charmm36.map |
sha256=tWN5dKJyJ2B6xecLgTnsBDnbOfNavfERTGYv6gdkO48
|
250 |
| vermouth/data/mappings/martini3001/indo.charmm36.map |
sha256=B-Aqy02uf-ebZVXXhWSNGoVpzgLa9XMs1eqD-SRZecM
|
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