X-Git-Url: http://mmka.chem.univ.gda.pl/gitweb/?a=blobdiff_plain;f=source%2Funres%2Fsrc_MD%2Flagrangian_lesyng.F;h=eb08eb79ff9a3772d52e3e164359c810a4ae3a2f;hb=28c34e29544c2c893d370595a854d963826a1531;hp=8a9163a4f4a4ba48c07ddb315ab270336eb8738b;hpb=a45ce81aae2c857c30b821e39e45a7a08356de4d;p=unres.git diff --git a/source/unres/src_MD/lagrangian_lesyng.F b/source/unres/src_MD/lagrangian_lesyng.F index 8a9163a..eb08eb7 100644 --- a/source/unres/src_MD/lagrangian_lesyng.F +++ b/source/unres/src_MD/lagrangian_lesyng.F @@ -217,7 +217,7 @@ c Diagonal elements of the dX part of A and the respective friction coefficient do i=nnt,nct ind=ind+1 ii = ind+m - iti=itype(i) + iti=iabs(itype(i)) massvec(ii)=msc(iti) if (iti.ne.10) then ind1=ind1+1 @@ -230,7 +230,7 @@ c Off-diagonal elements of the dX part of A ind=0 k=nct-nnt do i=nnt,nct - iti=itype(i) + iti=iabs(itype(i)) ind=ind+1 do j=nnt,i ii = ind