added water model selection and list file to pdb2gmx
commita9149e094c91e57141cc289b6b7662bf7fc00606
authorBerk Hess <hess@csbl10.(none)>
Thu, 17 Jun 2010 10:11:03 +0000 (17 12:11 +0200)
committerBerk Hess <hess@csbl10.(none)>
Thu, 17 Jun 2010 10:11:03 +0000 (17 12:11 +0200)
treef6b62d50abad26f12bab076cd19c05600632d07f
parent51e9cdc4976d9a3ef675444186d9c4ffdae7195e
added water model selection and list file to pdb2gmx
25 files changed:
share/top/charmm27.ff/Makefile.am
share/top/charmm27.ff/watermodels.dat [new file with mode: 0644]
share/top/encads.ff/Makefile.am
share/top/encads.ff/watermodels.dat [new file with mode: 0644]
share/top/encadv.ff/Makefile.am
share/top/encadv.ff/watermodels.dat [new file with mode: 0644]
share/top/gmx.ff/Makefile.am
share/top/gmx.ff/watermodels.dat [new file with mode: 0644]
share/top/gmx2.ff/Makefile.am
share/top/gmx2.ff/watermodels.dat [new file with mode: 0644]
share/top/gromos43a1.ff/Makefile.am
share/top/gromos43a1.ff/watermodels.dat [new file with mode: 0644]
share/top/gromos43a2.ff/Makefile.am
share/top/gromos43a2.ff/watermodels.dat [new file with mode: 0644]
share/top/gromos45a3.ff/Makefile.am
share/top/gromos45a3.ff/watermodels.dat [new file with mode: 0644]
share/top/gromos53a5.ff/Makefile.am
share/top/gromos53a5.ff/watermodels.dat [new file with mode: 0644]
share/top/gromos53a6.ff/Makefile.am
share/top/gromos53a6.ff/watermodels.dat [new file with mode: 0644]
share/top/oplsaa.ff/Makefile.am
share/top/oplsaa.ff/watermodels.dat [new file with mode: 0644]
src/kernel/pdb2gmx.c
src/kernel/pdb2top.c
src/kernel/pdb2top.h