X-Git-Url: http://mmka.chem.univ.gda.pl/gitweb/?a=blobdiff_plain;f=source%2Fwham%2Fsrc%2Fcartder.f;fp=source%2Fwham%2Fsrc%2Fcartder.f;h=693fd605abab3f69a562e1b0647282b1553fb4f8;hb=7fcc0efe632e299b8b944facdca6b9320c8c78da;hp=ed14f18e5c4d9530a939a5be27b171d10c7635c6;hpb=05283f438be84bc574c0d6aad77f39de1303d679;p=unres.git diff --git a/source/wham/src/cartder.f b/source/wham/src/cartder.f index ed14f18..693fd60 100644 --- a/source/wham/src/cartder.f +++ b/source/wham/src/cartder.f @@ -263,7 +263,7 @@ cd print '(3f8.3)',(dcdv(k,ind1),k=1,3) * Derivatives in alpha and omega: * do i=2,nres-1 - dsci=dsc(itype(i)) + dsci=dsc(iabs(itype(i))) alphi=alph(i) omegi=omeg(i) cd print *,'i=',i,' dsci=',dsci,' alphi=',alphi,' omegi=',omegi