amber ff atomtypes change: corrected masses, removed bonded atom types, added atomic...
commit1ed8d02e2c68a31ae0b5bd0b08e0f0c7f9d1a64e
authorBerk Hess <hess@csbl10.(none)>
Wed, 28 Jul 2010 08:54:40 +0000 (28 10:54 +0200)
committerBerk Hess <hess@csbl10.(none)>
Wed, 28 Jul 2010 08:54:40 +0000 (28 10:54 +0200)
tree4e4d00c0309374a2dbfa3c2048357a98a252a08a
parent9cba9e2d33eb3418da21dcf168537402fd4513f7
amber ff atomtypes change: corrected masses, removed bonded atom types, added atomic numbers, changed comments to the original Amber file comments
14 files changed:
share/top/amber03.ff/atomtypes.atp
share/top/amber03.ff/ffnonbonded.itp
share/top/amber94.ff/atomtypes.atp
share/top/amber94.ff/ffnonbonded.itp
share/top/amber96.ff/atomtypes.atp
share/top/amber96.ff/ffnonbonded.itp
share/top/amber99.ff/atomtypes.atp
share/top/amber99.ff/ffnonbonded.itp
share/top/amber99sb-ildn.ff/atomtypes.atp
share/top/amber99sb-ildn.ff/ffnonbonded.itp
share/top/amber99sb.ff/atomtypes.atp
share/top/amber99sb.ff/ffnonbonded.itp
share/top/amberGS.ff/atomtypes.atp
share/top/amberGS.ff/ffnonbonded.itp