| commit | ff58c1c0a264ba12f8c5bf76f48e69e334c24ef9 | |
| author | Mark Abraham <mark.j.abraham@gmail.com> | |
| Thu, 8 Sep 2011 01:05:15 +0000 (8 11:05 +1000) | ||
| committer | Mark Abraham <mark.j.abraham@gmail.com> | |
| Tue, 13 Sep 2011 04:17:36 +0000 (13 14:17 +1000) | ||
| tree | d0ceb7a4b2eac4f8b6a084693994240c35612a22 | treesnapshot (tar.gz zip) |
| parent | f1ff824e4cf652f89abce5166c1ee6ea395add0a | commitdiff |
Fixed charge groups of CHARMM27 DNA/RNA terminal H
The nucleic acid termini databases added hydrogen atoms by default in
the same charge group as the atom to which they were bound, however
in CHARMM force fields, each atom should be its own charge group.
IssueID #744
Change-Id: Ic608065008cc20e6c452bb5cf1d116db6bfde679
The nucleic acid termini databases added hydrogen atoms by default in
the same charge group as the atom to which they were bound, however
in CHARMM force fields, each atom should be its own charge group.
IssueID #744
Change-Id: Ic608065008cc20e6c452bb5cf1d116db6bfde679