X-Git-Url: http://mmka.chem.univ.gda.pl/gitweb/?a=blobdiff_plain;f=source%2Funres%2Fsrc-HCD-5D%2FCOMMON.DERIV;h=1c39ed14910c228ffce90bbef29d111ae76e1611;hb=c711143ad3fffb04d27b55aa823f399b8343c4c5;hp=217b76c564fcb7b1789d7ae85e9f0075c1c08911;hpb=76ef494efde78d2d85d0e72d936c13166961256c;p=unres.git diff --git a/source/unres/src-HCD-5D/COMMON.DERIV b/source/unres/src-HCD-5D/COMMON.DERIV index 217b76c..1c39ed1 100644 --- a/source/unres/src-HCD-5D/COMMON.DERIV +++ b/source/unres/src-HCD-5D/COMMON.DERIV @@ -13,7 +13,9 @@ & gshieldc_ll, gshieldc_loc_ll double precision gdfad,gdfat,gdfan,gdfab integer nfl,icg - common /derivat/ dcdv(6,maxdim),dxdv(6,maxdim),dxds(6,maxres), +c common /derivat/ dcdv(6,maxdim),dxdv(6,maxdim),dxds(6,maxres), +c 3/12/20 Adam: Arrays dcdv, dxdv, and dxds removed following recoding of gradient. + common /derivat/ & gradx(3,-1:maxres,2),gradc(3,-1:maxres,2),gvdwx(3,-1:maxres), & gvdwc(3,-1:maxres),gelc(3,-1:maxres),gelc_long(3,-1:maxres), & gvdwpp(3,-1:maxres),gvdwc_scpp(3,-1:maxres),