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(parent: 6b51d41) | patch
ctest for remd
authorCezary Czaplewski <czarek@chem.univ.gda.pl>
Wed, 9 Mar 2016 07:17:51 +0000 (08:17 +0100)
committerCezary Czaplewski <czarek@chem.univ.gda.pl>
Wed, 9 Mar 2016 07:17:51 +0000 (08:17 +0100)
commitc14377021868e1be540e30d301c967d377da4f35
treebde3c86f9645bb71c26071c548fb0b572ad98f5etree | snapshot
parent6b51d41084a80d756d2f5ef08ed198a4c1f15338commit | diff
ctest for remd

checks average ACC, plots histograms of energy for each bath
temperature and energy v.s bath temperature
ctest/1L2Y_remd.inp [new file with mode: 0644] blob
ctest/matplotlib_hist.py [new file with mode: 0755] blob
ctest/prota_unres_energy_check.sh diff | blob | history
source/unres/src_MD/CMakeLists.txt diff | blob | history
UNRESPACK 3.x