X-Git-Url: http://mmka.chem.univ.gda.pl/gitweb/?a=blobdiff_plain;f=source%2Funres%2Fsrc-HCD-5D%2Freadpdb-mult.F;h=41fe7f6d268935d8b47f1308d249fa69bef51d60;hb=ae315105cef83bbcab70e2778ef92459690ee784;hp=8346c4ad7e4450bc463e63602db07a9c1ffe62d4;hpb=57038e4bdff4cc9534106b25bfbd4b9a844d47fd;p=unres.git diff --git a/source/unres/src-HCD-5D/readpdb-mult.F b/source/unres/src-HCD-5D/readpdb-mult.F index 8346c4a..41fe7f6 100644 --- a/source/unres/src-HCD-5D/readpdb-mult.F +++ b/source/unres/src-HCD-5D/readpdb-mult.F @@ -342,6 +342,7 @@ c write(iout,*)"before int_from_cart nres",nres thetaref(i)=theta(i) phiref(i)=phi(i) enddo + dc(:,0)=c(:,1) do i=1,nres-1 do j=1,3 dc(j,i)=c(j,i+1)-c(j,i)