| commit | 41c55071bf60c9438fa013df6f1e8a267b1eaaf9 | |
| author | Mark Abraham <mark.j.abraham@gmail.com> | |
| Thu, 25 Aug 2011 02:01:17 +0000 (25 12:01 +1000) | ||
| committer | Mark Abraham <mark.j.abraham@gmail.com> | |
| Thu, 1 Sep 2011 14:02:26 +0000 (2 00:02 +1000) | ||
| tree | 0f32ebbd031f58df82d66c68c2c254aff8bb4732 | treesnapshot (tar.gz zip) |
| parent | 471c65f4252c80f432e1a337bbb82282d900cbc2 | commitdiff |
Adjusted construction of default index groups
The CHARMM convention of naming the H atom bonded to backbone N as
"HN" led to erroneous construction the MainChain+H and (complementary)
SideChain groups. Protein, Protein-H and SideChain-H were fortuitously
correct.
IssueID #788
Change-Id: Ib8525dba61e4f072ae5074a9f6b523ac13892833
The CHARMM convention of naming the H atom bonded to backbone N as
"HN" led to erroneous construction the MainChain+H and (complementary)
SideChain groups. Protein, Protein-H and SideChain-H were fortuitously
correct.
IssueID #788
Change-Id: Ib8525dba61e4f072ae5074a9f6b523ac13892833
| src/gmxlib/index.c | diffblobblamehistory |