projects / unres.git / commit
? search:
summary | shortlog | log | commit | commitdiff | tree
(parent: 621c80c) | patch
ctest ENE changed to minimize unres_pdb structure
authorCezary Czaplewski <czarek@chem.univ.gda.pl>
Sat, 12 Mar 2016 03:39:21 +0000 (04:39 +0100)
committerCezary Czaplewski <czarek@chem.univ.gda.pl>
Sat, 12 Mar 2016 03:39:21 +0000 (04:39 +0100)
commitffb060c42bc9686cd2ab189e5f1c8fc4f5da25aa
treec5a1856bc5175fad6b6dcd88ec7c1d6ad9afdc6atree | snapshot
parent621c80c4c41cb0af595279286effd03acdf0539dcommit | diff
ctest ENE changed to minimize unres_pdb structure

native pdb had too large vdw energy which can cover
changes of other energy components
ctest/prota_ENE.inp diff | blob | history
ctest/prota_unres.pdb [new file with mode: 0644] blob
ctest/prota_unres_energy_check.sh diff | blob | history
source/unres/src_MD-M/CMakeLists.txt diff | blob | history
source/unres/src_MD/CMakeLists.txt diff | blob | history
source/unres/src_MIN/CMakeLists.txt diff | blob | history
UNRESPACK 3.x