X-Git-Url: http://mmka.chem.univ.gda.pl/gitweb/?a=blobdiff_plain;f=source%2Fcluster%2Fwham%2Fsrc-HCD-5D%2Finclude_unres%2FCOMMON.DERIV;h=9b47a7395409b3e25e3ae660aa97740180a8a5f1;hb=1441ec2b7d68b4fd94014649e4bd9574db0bfc36;hp=f1f5db5a29b28070a08ae86290c833435a703d31;hpb=79fd686e9d9aaa23e4fda802ee16379470e961d3;p=unres.git diff --git a/source/cluster/wham/src-HCD-5D/include_unres/COMMON.DERIV b/source/cluster/wham/src-HCD-5D/include_unres/COMMON.DERIV index f1f5db5..9b47a73 100644 --- a/source/cluster/wham/src-HCD-5D/include_unres/COMMON.DERIV +++ b/source/cluster/wham/src-HCD-5D/include_unres/COMMON.DERIV @@ -15,7 +15,9 @@ & gdfad,gdfat,gdfan,gdfab integer nfl,icg logical calc_grad - 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),