REMD with HOMOL_NSET>1 and single weight for all homology restraints
authorCezary Czaplewski <czarek@chem.univ.gda.pl>
Tue, 3 Mar 2015 11:55:08 +0000 (12:55 +0100)
committerCezary Czaplewski <czarek@chem.univ.gda.pl>
Tue, 3 Mar 2015 11:55:08 +0000 (12:55 +0100)
commit01c3eb1a73e84ef1e5a40828c38bcb3e2aaedb21
tree67cf51fda9ec6399686045f0748e5cba52d08eab
parent225775bc5ba9666d2e90305f45d44be15f95124a
REMD with HOMOL_NSET>1 and single weight for all homology restraints
some output cleaning
source/unres/src_MD/COMMON.CONTROL
source/unres/src_MD/MREMD.F
source/unres/src_MD/cinfo.f
source/unres/src_MD/energy_p_new_barrier.F
source/unres/src_MD/initialize_p.F
source/unres/src_MD/parmread.F
source/unres/src_MD/readpdb.F
source/unres/src_MD/readrtns.F