Implemented two extra numbers in the bondedtypes section of the rtp file to support... release-3-1-3
commitbb6aaa53a1ae87edfc1ed3a7d027128708072908
authorlindahl <lindahl>
Tue, 23 Apr 2002 07:33:18 +0000 (23 07:33 +0000)
committerlindahl <lindahl>
Tue, 23 Apr 2002 07:33:18 +0000 (23 07:33 +0000)
treeb9d1dc34b5385fdff1bac3f232e99e0552bcc9fc
parente5b97c76df9048b018a6e51fe057a79790163b38
Implemented two extra numbers in the bondedtypes section of the rtp file to support generation of all dihedrals and exclusions automatically.
Extended the dihedraltype specification to work with both 2 and 4 atoms.
Everything should be backwards compatible.
admin/gromacs-mpi.spec
admin/gromacs.spec
share/top/FF.dat
src/kernel/pdb2gmx.c
src/kernel/pdb2top.c
src/kernel/resall.c
src/kernel/resall.h
src/kernel/topio.c
src/kernel/toppush.c
src/kernel/toppush.h