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(parent: d870d0c) | 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)
commit94b0e723bdb0f8ecbcf6ae149e13db8b75686fb9
treeabce1a315318e8a6048e844ac4006973048c4507tree | snapshot
parentd870d0cba9d1998fcd3efc62cb02e66a595eea59commit | 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