| commit | 507f700538a1c596b54c2a27697f06f12645e40f | |
| author | Mark Abraham <mark.j.abraham@gmail.com> | |
| Mon, 5 Sep 2016 15:32:19 +0000 (5 17:32 +0200) | ||
| committer | Kasson <kasson@gmail.com> | |
| Wed, 7 Sep 2016 12:42:08 +0000 (7 14:42 +0200) | ||
| tree | f8398499906ba3901dce2453c6e90f44d43807a0 | treesnapshot (tar.gz zip) |
| parent | 998b749eb24ee804f5d550aa2fe84ed98e4f1284 | commitdiff |
Fix LYN charges in amber03
These charges now match those found in AMBER 14 and 16. The
validation of the AMBER ports was done with AMBER 8.0, and
this fix was made afterwards in
http://ambermd.org/bugfixes/8.0/bugfix.19 (and perhaps LYN wasn't
in the validation set).
Fixes #2046.
Change-Id: Ibcaab337b527a44e42d5a7c68f71ef4fde2acf66
These charges now match those found in AMBER 14 and 16. The
validation of the AMBER ports was done with AMBER 8.0, and
this fix was made afterwards in
http://ambermd.org/bugfixes/8.0/bugfix.19 (and perhaps LYN wasn't
in the validation set).
Fixes #2046.
Change-Id: Ibcaab337b527a44e42d5a7c68f71ef4fde2acf66
| share/top/amber03.ff/aminoacids.rtp | diffblobblamehistory |