corrected the amber water model files
commit23976541fc90c7caf39719ebabee77d47d32427e
authorBerk Hess <hess@csbl10.(none)>
Tue, 27 Jul 2010 11:05:51 +0000 (27 13:05 +0200)
committerBerk Hess <hess@csbl10.(none)>
Tue, 27 Jul 2010 11:05:51 +0000 (27 13:05 +0200)
tree16eb1ba4c8d3851b336d4c038c75b51937a7e980
parent9ffc98387684bdded041ce41d47dace42e10ce0f
corrected the amber water model files
63 files changed:
share/top/amber03.ff/Makefile.am
share/top/amber03.ff/spc.itp [new file with mode: 0644]
share/top/amber03.ff/spce.itp [new file with mode: 0644]
share/top/amber03.ff/tip3p.itp [copied from share/top/amber94.ff/tip3p.itp with 64% similarity]
share/top/amber03.ff/tip4p.itp
share/top/amber03.ff/tip4pEW.itp [deleted file]
share/top/amber03.ff/tip4pew.itp [new file with mode: 0644]
share/top/amber03.ff/tip5p.itp
share/top/amber03.ff/watermodels.dat
share/top/amber94.ff/Makefile.am
share/top/amber94.ff/spc.itp [new file with mode: 0644]
share/top/amber94.ff/spce.itp [new file with mode: 0644]
share/top/amber94.ff/tip3p.itp
share/top/amber94.ff/tip4p.itp
share/top/amber94.ff/tip4pEW.itp [deleted file]
share/top/amber94.ff/tip4pew.itp [new file with mode: 0644]
share/top/amber94.ff/tip5p.itp [copied from share/top/amber03.ff/tip5p.itp with 70% similarity]
share/top/amber94.ff/watermodels.dat
share/top/amber96.ff/Makefile.am
share/top/amber96.ff/spc.itp [new file with mode: 0644]
share/top/amber96.ff/spce.itp [new file with mode: 0644]
share/top/amber96.ff/tip3p.itp [copied from share/top/amber94.ff/tip3p.itp with 64% similarity]
share/top/amber96.ff/tip4p.itp
share/top/amber96.ff/tip4pEW.itp [deleted file]
share/top/amber96.ff/tip4pew.itp [new file with mode: 0644]
share/top/amber96.ff/tip5p.itp [copied from share/top/amber03.ff/tip5p.itp with 70% similarity]
share/top/amber96.ff/watermodels.dat
share/top/amber99.ff/Makefile.am
share/top/amber99.ff/spc.itp [new file with mode: 0644]
share/top/amber99.ff/spce.itp [new file with mode: 0644]
share/top/amber99.ff/tip3p.itp [copied from share/top/amber94.ff/tip3p.itp with 64% similarity]
share/top/amber99.ff/tip4p.itp
share/top/amber99.ff/tip4pEW.itp [deleted file]
share/top/amber99.ff/tip4pew.itp [new file with mode: 0644]
share/top/amber99.ff/tip5p.itp [copied from share/top/amber03.ff/tip5p.itp with 70% similarity]
share/top/amber99.ff/watermodels.dat
share/top/amber99sb-ildn.ff/Makefile.am
share/top/amber99sb-ildn.ff/spc.itp [new file with mode: 0644]
share/top/amber99sb-ildn.ff/spce.itp [new file with mode: 0644]
share/top/amber99sb-ildn.ff/tip3p.itp [copied from share/top/amber94.ff/tip3p.itp with 64% similarity]
share/top/amber99sb-ildn.ff/tip4p.itp
share/top/amber99sb-ildn.ff/tip4pEW.itp [deleted file]
share/top/amber99sb-ildn.ff/tip4pew.itp [new file with mode: 0644]
share/top/amber99sb-ildn.ff/tip5p.itp [copied from share/top/amber03.ff/tip5p.itp with 70% similarity]
share/top/amber99sb-ildn.ff/watermodels.dat
share/top/amber99sb.ff/Makefile.am
share/top/amber99sb.ff/spc.itp [new file with mode: 0644]
share/top/amber99sb.ff/spce.itp [new file with mode: 0644]
share/top/amber99sb.ff/tip3p.itp [copied from share/top/amber94.ff/tip3p.itp with 64% similarity]
share/top/amber99sb.ff/tip4p.itp
share/top/amber99sb.ff/tip4pEW.itp [deleted file]
share/top/amber99sb.ff/tip4pew.itp [new file with mode: 0644]
share/top/amber99sb.ff/tip5p.itp [copied from share/top/amber03.ff/tip5p.itp with 70% similarity]
share/top/amber99sb.ff/watermodels.dat
share/top/amberGS.ff/Makefile.am
share/top/amberGS.ff/spc.itp [new file with mode: 0644]
share/top/amberGS.ff/spce.itp [new file with mode: 0644]
share/top/amberGS.ff/tip3p.itp [copied from share/top/amber94.ff/tip3p.itp with 64% similarity]
share/top/amberGS.ff/tip4p.itp
share/top/amberGS.ff/tip4pEW.itp [deleted file]
share/top/amberGS.ff/tip4pew.itp [new file with mode: 0644]
share/top/amberGS.ff/tip5p.itp [copied from share/top/amber03.ff/tip5p.itp with 70% similarity]
share/top/amberGS.ff/watermodels.dat