Updated Amber GBSA parameters
commit3c09f4c1549f77f5e5efa063d20016a840597b76
authorErik Lindahl <erik@kth.se>
Mon, 9 Jun 2014 19:06:04 +0000 (9 21:06 +0200)
committerGerrit Code Review <gerrit@gerrit.gromacs.org>
Wed, 25 Jun 2014 17:27:36 +0000 (25 19:27 +0200)
tree922a130e2ea1c285754e09d42eab8d520abe1585
parent72e3e8f51bf905d0688dab63e146785e6eba1a19
Updated Amber GBSA parameters

Updated parameters according to Per Larsson's post on
gmx-users in November 2012 (076230.html) that found energies
to agree to at least within 0.2kJ/mol (OK, not great).

Fixes #1161.

Change-Id: I1666238c332fb9d8cc82ab6faea672e016d78757
share/top/amber03.ff/gbsa.itp
share/top/amber94.ff/gbsa.itp
share/top/amber96.ff/gbsa.itp
share/top/amber99.ff/gbsa.itp
share/top/amber99sb-ildn.ff/gbsa.itp
share/top/amber99sb.ff/gbsa.itp
share/top/amberGS.ff/gbsa.itp