mmka.chem.univ.gda.pl Git - unres.git/commit

author	Cezary Czaplewski <czarek@chem.univ.gda.pl>
	Thu, 12 May 2016 17:40:37 +0000 (19:40 +0200)
committer	Cezary Czaplewski <czarek@chem.univ.gda.pl>
	Thu, 12 May 2016 17:40:37 +0000 (19:40 +0200)
commit	7006db11d703450fb82ce20cfc53f74614334362
tree	c0b23160566edfcfa2da6187049141915d44dd5b	tree \| snapshot
parent	9beb3f412ed14c69dd53a317a0ac1db4afae03c5	commit \| diff

the first working version of multichain homology

energy is consistend for unres, wham and cluster
but is not the same as for single chain unres

92 files changed:

source/cluster/wham/src-M/CMakeLists.txt		diff \| blob \| history
source/cluster/wham/src-M/COMMON.CHAIN		diff \| blob \| history
source/cluster/wham/src-M/COMMON.CLUSTER		diff \| blob \| history
source/cluster/wham/src-M/COMMON.CONTROL		diff \| blob \| history
source/cluster/wham/src-M/COMMON.DERIV		diff \| blob \| history
source/cluster/wham/src-M/COMMON.FFIELD		diff \| blob \| history
source/cluster/wham/src-M/COMMON.HOMRESTR	[new file with mode: 0644]	blob
source/cluster/wham/src-M/COMMON.IOUNITS		diff \| blob \| history
source/cluster/wham/src-M/COMMON.LOCAL		diff \| blob \| history
source/cluster/wham/src-M/COMMON.NAMES		diff \| blob \| history
source/cluster/wham/src-M/COMMON.SBRIDGE		diff \| blob \| history
source/cluster/wham/src-M/COMMON.SCROT		diff \| blob \| history
source/cluster/wham/src-M/COMMON.SHIELD	[new file with mode: 0644]	blob
source/cluster/wham/src-M/COMMON.TORSION		diff \| blob \| history
source/cluster/wham/src-M/COMMON.VAR		diff \| blob \| history
source/cluster/wham/src-M/DIMENSIONS		diff \| blob \| history
source/cluster/wham/src-M/chainbuild.f		diff \| blob \| history
source/cluster/wham/src-M/contact.f		diff \| blob \| history
source/cluster/wham/src-M/energy_p_new.F		diff \| blob \| history
source/cluster/wham/src-M/geomout.F		diff \| blob \| history
source/cluster/wham/src-M/gnmr1.f		diff \| blob \| history
source/cluster/wham/src-M/include_unres/COMMON.CALC		diff \| blob \| history
source/cluster/wham/src-M/include_unres/COMMON.INTERACT		diff \| blob \| history
source/cluster/wham/src-M/include_unres/COMMON.LOCAL		diff \| blob \| history
source/cluster/wham/src-M/include_unres/COMMON.NAMES	[deleted file]	blob \| history
source/cluster/wham/src-M/include_unres/COMMON.SCCOR		diff \| blob \| history
source/cluster/wham/src-M/include_unres/COMMON.SCROT		diff \| blob \| history
source/cluster/wham/src-M/include_unres/COMMON.SETUP	[new file with mode: 0644]	blob
source/cluster/wham/src-M/include_unres/COMMON.SPLITELE	[new file with mode: 0644]	blob
source/cluster/wham/src-M/include_unres/COMMON.TORCNSTR		diff \| blob \| history
source/cluster/wham/src-M/include_unres/COMMON.WEIGHTS		diff \| blob \| history
source/cluster/wham/src-M/initialize.f		diff \| blob \| history
source/cluster/wham/src-M/initialize_p.F		diff \| blob \| history
source/cluster/wham/src-M/main_clust.F		diff \| blob \| history
source/cluster/wham/src-M/parmread.F		diff \| blob \| history
source/cluster/wham/src-M/probabl.F		diff \| blob \| history
source/cluster/wham/src-M/read_coords.F		diff \| blob \| history
source/cluster/wham/src-M/readpdb.f		diff \| blob \| history
source/cluster/wham/src-M/readrtns.F		diff \| blob \| history
source/cluster/wham/src-M/rescode.f		diff \| blob \| history
source/cluster/wham/src-M/ssMD.F	[new file with mode: 0644]	blob
source/cluster/wham/src-M/work_partition.F		diff \| blob \| history
source/wham/src-M/CMakeLists.txt		diff \| blob \| history
source/wham/src-M/COMMON.ALLPARM		diff \| blob \| history
source/wham/src-M/COMMON.CHAIN		diff \| blob \| history
source/wham/src-M/COMMON.CONTROL		diff \| blob \| history
source/wham/src-M/COMMON.HOMRESTR	[new file with mode: 0644]	blob
source/wham/src-M/COMMON.IOUNITS		diff \| blob \| history
source/wham/src-M/COMMON.SPLITELE	[new file with mode: 0644]	blob
source/wham/src-M/COMMON.VAR		diff \| blob \| history
source/wham/src-M/DIMENSIONS		diff \| blob \| history
source/wham/src-M/DIMENSIONS.FREE		diff \| blob \| history
source/wham/src-M/DIMENSIONS.ZSCOPT		diff \| blob \| history
source/wham/src-M/cartder.f		diff \| blob \| history
source/wham/src-M/contact.f		diff \| blob \| history
source/wham/src-M/cxread.F		diff \| blob \| history
source/wham/src-M/define_pairs.f		diff \| blob \| history
source/wham/src-M/enecalc1.F		diff \| blob \| history
source/wham/src-M/energy_p_new.F		diff \| blob \| history
source/wham/src-M/geomout.F		diff \| blob \| history
source/wham/src-M/gnmr1.f		diff \| blob \| history
source/wham/src-M/include_unres/COMMON.DERIV		diff \| blob \| history
source/wham/src-M/include_unres/COMMON.FFIELD		diff \| blob \| history
source/wham/src-M/include_unres/COMMON.INTERACT		diff \| blob \| history
source/wham/src-M/include_unres/COMMON.LOCAL		diff \| blob \| history
source/wham/src-M/include_unres/COMMON.NAMES		diff \| blob \| history
source/wham/src-M/include_unres/COMMON.SBRIDGE		diff \| blob \| history
source/wham/src-M/include_unres/COMMON.SCROT		diff \| blob \| history
source/wham/src-M/include_unres/COMMON.SETUP	[new file with mode: 0644]	blob
source/wham/src-M/include_unres/COMMON.TORCNSTR		diff \| blob \| history
source/wham/src-M/include_unres/COMMON.TORSION		diff \| blob \| history
source/wham/src-M/include_unres/COMMON.WEIGHTS		diff \| blob \| history
source/wham/src-M/initialize_p.F		diff \| blob \| history
source/wham/src-M/make_ensemble1.F		diff \| blob \| history
source/wham/src-M/molread_zs.F		diff \| blob \| history
source/wham/src-M/openunits.F		diff \| blob \| history
source/wham/src-M/parmread.F		diff \| blob \| history
source/wham/src-M/permut.F		diff \| blob \| history
source/wham/src-M/proc_cont.f		diff \| blob \| history
source/wham/src-M/promienie.f		diff \| blob \| history
source/wham/src-M/qwolynes.f		diff \| blob \| history
source/wham/src-M/read_dist_constr.F		diff \| blob \| history
source/wham/src-M/read_ref_str.F		diff \| blob \| history
source/wham/src-M/readpdb.f		diff \| blob \| history
source/wham/src-M/readrtns.F		diff \| blob \| history
source/wham/src-M/rescode.f		diff \| blob \| history
source/wham/src-M/rmscalc.f		diff \| blob \| history
source/wham/src-M/secondary.f		diff \| blob \| history
source/wham/src-M/ssMD.F	[new file with mode: 0644]	blob
source/wham/src-M/store_parm.F		diff \| blob \| history
source/wham/src-M/wham_calc1.F		diff \| blob \| history
source/wham/src-M/wham_multparm.F		diff \| blob \| history

UNRESPACK 3.x

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