X-Git-Url: http://mmka.chem.univ.gda.pl/gitweb/?a=blobdiff_plain;f=source%2Fcluster%2Fwham%2Fsrc-HCD-5D%2FDIMENSIONS;h=7e90427972b9b0ab3ec8d91283900cbab506d167;hb=59be9794bde14291abe01fcdc62da623d4463042;hp=e6a29b383b6a2f852b9a5baca642261ff574e994;hpb=ab8dbd25cdc7c85b02714408f6db51aae86153ed;p=unres.git diff --git a/source/cluster/wham/src-HCD-5D/DIMENSIONS b/source/cluster/wham/src-HCD-5D/DIMENSIONS index e6a29b3..7e90427 100644 --- a/source/cluster/wham/src-HCD-5D/DIMENSIONS +++ b/source/cluster/wham/src-HCD-5D/DIMENSIONS @@ -10,7 +10,7 @@ C Max. number of processors. C Max. number of AA residues integer maxres,maxres2 c parameter (maxres=1200) - parameter (maxres=5000) + parameter (maxres=7000) C Max. number of cysteines and other bridging residues integer max_cyst parameter (max_cyst=100) @@ -26,7 +26,7 @@ C Max number of symetric chains integer maxchain parameter (maxchain=50) integer maxperm - parameter (maxperm=120) + parameter (maxperm=5040) C Max. number of derivatives of virtual-bond and side-chain vectors in theta C or phi. integer maxdim @@ -46,7 +46,7 @@ C include in template-based/contact distance restraints. parameter (maxcont_res=200) C Max. number of distance/contact-distance restraints integer maxdim_cont - parameter (maxdim_cont=maxres*maxcont_res) + parameter (maxdim_cont=maxres*1000) C Number of AA types (at present only natural AA's will be handled integer ntyp,ntyp1 parameter (ntyp=24,ntyp1=ntyp+1)