biod.pnpi.spb.ru / alexxy / gromacs.git / commit
? search:
summary | shortlog | log | commit | commitdiff | tree
(parent: 98b0cb2) | patch
[tools] g_sans - add trajectory avereging
authorAlexey Shvetsov <alexxy@omrb.pnpi.spb.ru>
Mon, 14 May 2012 17:01:39 +0000 (21:01 +0400)
committerAlexey Shvetsov <alexxy@omrb.pnpi.spb.ru>
Fri, 5 Oct 2012 13:38:43 +0000 (17:38 +0400)
commitacdff3583cc7f9fa764ee63f6e52af02c7f58cc0
tree083cf75f17df3c5043cd5b6f9ddcd9fce342fba3tree | snapshot
parent98b0cb231db8124fdcbac55d2077089b7efe686bcommit | diff
[tools] g_sans - add trajectory avereging

This change adds
1. trajectory averaging for s(q) and p(r)
2. can compute s(q) and p(r) for each frame

Change-Id: Ieb421a8b5ae06b72442bbe5fbae4231a7fa9c980
Signed-off-by: Alexey Shvetsov <alexxy@omrb.pnpi.spb.ru>
src/tools/gmx_sans.c diff | blob | history
src/tools/nsfactor.c diff | blob | history
src/tools/nsfactor.h diff | blob | history
Local GROMACS mirror with custom stuff