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(parent: 236275d) | patch
Updated dlist.c to recognize more atom names.
authorJustin Lemkul <jalemkul@vt.edu>
Thu, 25 Jul 2013 20:43:13 +0000 (16:43 -0400)
committerGerrit Code Review <gerrit@gerrit.gromacs.org>
Thu, 25 Jul 2013 23:32:41 +0000 (01:32 +0200)
commit3c2004f84fd88cc3b56026fb224d4daf14a406db
tree00ba32e0989f7e5c7f945ce8f9688df8ff3ba264tree | snapshot
parent236275d905204766266a65a714f38b3294b95779commit | diff
Updated dlist.c to recognize more atom names.

Previously, g_chi basically only worked correctly for OPLS-AA and
Gromos96 force fields, based on C-terminal atom names.  This commit
adds atom names for AMBER and CHARMM force fields so that g_chi
calculates dihedral properties for all residues.

Change-Id: I48517fb55bd46e7d49941f7902f4f6531e443e62
src/tools/dlist.c diff | blob | history
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