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(parent: 64a411f) | patch
Updated g_cluster
authorDavid van der Spoel <spoel@xray.bmc.uu.se>
Sat, 3 Aug 2013 17:28:27 +0000 (19:28 +0200)
committerGerrit Code Review <gerrit@gerrit.gromacs.org>
Fri, 30 Aug 2013 12:45:17 +0000 (14:45 +0200)
commitc5a5c5dd019bd6398e9151471ea5c44afe964840
tree33c639a997deb1e84b9c30d8b44a1f7ecb8dab8dtree | snapshot
parent64a411f7753cd2f4d08615484085157f3a6d38ddcommit | diff
Updated g_cluster

Rewrote the monte-carlo algorithm to do something useful,
namely generate a smooth trajectory through all the
frames where the ends of the trajectory are at maximum
RMSD from each other.

Change-Id: I9a5ebd127e5d34a19a79becfd8f830b11c82839f
src/gromacs/gmxana/cmat.c diff | blob | history
src/gromacs/gmxana/cmat.h diff | blob | history
src/gromacs/gmxana/gmx_cluster.c diff | blob | history
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