Naprawienie wham'a oraz wprowadzenie SCcorr do CSA
authorAdam Sieradzan <adasko@piasek4.chem.univ.gda.pl>
Sun, 4 Jan 2015 10:54:16 +0000 (11:54 +0100)
committerAdam Sieradzan <adasko@piasek4.chem.univ.gda.pl>
Sun, 4 Jan 2015 10:54:16 +0000 (11:54 +0100)
commit7a3350f7afbf70b7a90c51580f5327860d877d98
tree11ca4637a75c267d73ec1f5c781c3128180b5a00
parenta70be6e9e57486949af48628f1bc8810bcbe7ce6
Naprawienie wham'a oraz wprowadzenie SCcorr do CSA
19 files changed:
examples/unres/CSA/4P/1l2y_csa.inp
examples/unres/CSA/4P/start.mat
source/unres/src_CSA/CMakeLists.txt
source/unres/src_CSA/COMMON.CHAIN
source/unres/src_CSA/COMMON.LOCAL
source/unres/src_CSA/COMMON.SCCOR
source/unres/src_CSA/COMMON.VAR
source/unres/src_CSA/DIMENSIONS
source/unres/src_CSA/checkder_p.F
source/unres/src_CSA/energy_p_new_barrier.F
source/unres/src_CSA/gradient_p.F
source/unres/src_CSA/initialize_p.F
source/unres/src_CSA/int_to_cart.f
source/unres/src_CSA/intcartderiv.F
source/unres/src_CSA/parmread.F
source/unres/src_CSA/readpdb.F
source/unres/src_MD-M/int_to_cart.f
source/wham/src-M/COMMON.ALLPARM
source/wham/src-M/include_unres/COMMON.LOCAL