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(parent: b32927c) | 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)
commit782e7a6f4817c4413f6c1bb34aed24c42305e91c
treef10479540d6ddcbe711e6d4dd3b2f5cb0b79c30ctree | snapshot
parentb32927cd966b7f46b7d65a4f6f220e3ff9894140commit | 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