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

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	549a47d7bb5ff7b75c531eec0c406ae46281e1bb
tree	c3e65db733b4cc6e10006535ea4e15b4adb157e8	tree \| snapshot
parent	1d0e9dcb6fac90939a171f88b44ec03c40e7d40a	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