biod.pnpi.spb.ru / alexxy / gromacs.git / commit
? search:
summary | shortlog | log | commit | commitdiff | tree
(parent: 026b6c6) | patch
Added NHE to OPLS/AA pdb2gmx hydrogen database
authorMark Abraham <Mark.J.Abraham@gmail.com>
Thu, 20 Jan 2011 09:46:02 +0000 (20:46 +1100)
committerMark Abraham <Mark.J.Abraham@gmail.com>
Thu, 20 Jan 2011 09:46:02 +0000 (20:46 +1100)
commit7c1df0fc1c9fc7fbb18a2688cae891d4deb73737
tree4a85abba6459a87b56f6916181985f7357aeb9eatree | snapshot
parent026b6c63089a6bda5d4d23bef73ca830c00821aecommit | diff
Added NHE to OPLS/AA pdb2gmx hydrogen database

The pdb2gmx residue database includes the NH2 capping group, and its
synonym NHE. The latter was missing from the .hdb, which is now fixed.
share/top/oplsaa.ff/aminoacids.hdb diff | blob | history
Local GROMACS mirror with custom stuff