Fixed GROMOS assignment of PRO-NH terminus torsions
authorErik Lindahl <erik@kth.se>
Mon, 23 Jun 2014 00:34:37 +0000 (02:34 +0200)
committerGerrit Code Review <gerrit@gerrit.gromacs.org>
Tue, 24 Jun 2014 12:24:56 +0000 (14:24 +0200)
commit05efeff756b9241e89ef1dd29d5033b7810c7a23
tree98971d27116f0fca6a5cb3d698081e28d2d6e1bf
parent8ebd438f3ca81c9cc5725b3149f2cd6f91422df5
Fixed GROMOS assignment of PRO-NH terminus torsions

This patch also adjusts the parameters for torsions
over N-CA bonds in the termini, according to
suggestions by Justin Lemkul & Drazen Petrov.

Fixes #1022.

Change-Id: Ib00d69eeddf924b1e7e2de33475d774d7da54899
share/top/gromos43a1.ff/aminoacids.n.tdb
share/top/gromos43a2.ff/aminoacids.n.tdb
share/top/gromos53a5.ff/aminoacids.n.tdb
share/top/gromos53a6.ff/aminoacids.n.tdb
share/top/gromos54a7.ff/aminoacids.n.tdb