mmka.chem.univ.gda.pl Git - unres.git/commit - source/wham/src/molread

author	Cezary Czaplewski <czarek@cell.kias.re.kr>
	Fri, 4 Mar 2016 08:57:37 +0000 (17:57 +0900)
committer	Cezary Czaplewski <czarek@cell.kias.re.kr>
	Thu, 10 Mar 2016 08:37:08 +0000 (17:37 +0900)
commit	d5d23fd0abb6c6a3f4ea6b09b89ffbbfe5713236
tree	7c668d3d728b3088dc8fa55f674dac879b596a4a	tree \| snapshot
parent	09de73d2d13a9a1f953e63cefce5c8eb78fbd7c5	commit \| diff

Adam's changes to wham and cluster following previous commit

XG.. and ..GX sequence is automatically corrected

also in cluster_wham it is possible to select number of clusters
instead of cutoff

Conflicts:
source/cluster/wham/src/COMMON.CONTROL
source/cluster/wham/src/energy_p_new.F
source/cluster/wham/src/probabl.F
source/cluster/wham/src/readpdb.F
source/cluster/wham/src/readrtns.F
source/wham/src/energy_p_new.F

UNRESPACK 3.x

RSS Atom

source/cluster/wham/src/COMMON.CLUSTER		diff \| blob \| history
source/cluster/wham/src/COMMON.CONTROL		diff \| blob \| history
source/cluster/wham/src/energy_p_new.F		diff \| blob \| history
source/cluster/wham/src/main_clust.F		diff \| blob \| history
source/cluster/wham/src/probabl.F		diff \| blob \| history
source/cluster/wham/src/readrtns.F		diff \| blob \| history
source/cluster/wham/src/wrtclust.f		diff \| blob \| history
source/wham/src/energy_p_new.F		diff \| blob \| history
source/wham/src/molread_zs.F		diff \| blob \| history