Made pdb2gmx be slightly more helpful when using AMBER forcefields
commited6ffded6943193121f59884a26f84c663f5822e
authorMark Abraham <Mark.J.Abraham@gmail.com>
Wed, 25 Aug 2010 06:13:02 +0000 (25 16:13 +1000)
committerMark Abraham <Mark.J.Abraham@gmail.com>
Wed, 25 Aug 2010 06:13:02 +0000 (25 16:13 +1000)
tree6e61a1ae3c73c0d80e50b64a2523c5acec81fbe4
parentd6298f2eec13ed13f41c3052bdd7f566e0051ab6
Made pdb2gmx be slightly more helpful when using AMBER forcefields
and the user may have forgotten to use terminus-specific residue
names.
include/pdb2top.h
src/kernel/pdb2gmx.c
src/kernel/pdb2top.c