X-Git-Url: http://mmka.chem.univ.gda.pl/gitweb/?a=blobdiff_plain;f=source%2Fwham%2Fsrc%2Fcartder.f;h=693fd605abab3f69a562e1b0647282b1553fb4f8;hb=fee3e9e4771d098bd9d7b6c3a7b91f0e42cea2c6;hp=ed14f18e5c4d9530a939a5be27b171d10c7635c6;hpb=a45ce81aae2c857c30b821e39e45a7a08356de4d;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