X-Git-Url: http://mmka.chem.univ.gda.pl/gitweb/?a=blobdiff_plain;f=source%2Fwham%2Fsrc-HCD%2Finclude_unres%2FCOMMON.DERIV;fp=source%2Fwham%2Fsrc-HCD%2Finclude_unres%2FCOMMON.DERIV;h=07bafe45b46e68fadff6261c589e4db378d493dc;hb=57038e4bdff4cc9534106b25bfbd4b9a844d47fd;hp=b694524cbd34572a5f01d4a0c87428a8c96790b5;hpb=32caa3b64eb94b90fa9fd402b77263ea89efffa1;p=unres.git diff --git a/source/wham/src-HCD/include_unres/COMMON.DERIV b/source/wham/src-HCD/include_unres/COMMON.DERIV index b694524..07bafe4 100644 --- a/source/wham/src-HCD/include_unres/COMMON.DERIV +++ b/source/wham/src-HCD/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),