X-Git-Url: http://mmka.chem.univ.gda.pl/gitweb/?a=blobdiff_plain;f=source%2Funres%2Fsrc_MD-M%2Flagrangian_lesyng.F;h=89fde29d76cf7019d96705a27bec53fbd526b67a;hb=4c8df5bfd461b8509158a9d5e54f705a99c69fed;hp=f9a48fca32cf5c1f1517a43795fb9f972be223cc;hpb=a45ce81aae2c857c30b821e39e45a7a08356de4d;p=unres.git

diff --git a/source/unres/src_MD-M/lagrangian_lesyng.F b/source/unres/src_MD-M/lagrangian_lesyng.F
index f9a48fc..89fde29 100644
--- a/source/unres/src_MD-M/lagrangian_lesyng.F
+++ b/source/unres/src_MD-M/lagrangian_lesyng.F
@@ -217,12 +217,12 @@ c  Diagonal elements of the dX part of A and the respective friction coefficient
         ind=ind+1
         ii = ind+m
         iti=itype(i)
-        massvec(ii)=msc(iti)
-        if (iti.ne.10 .and. iti.ne.21) then
+        massvec(ii)=msc(iabs(iti))
+        if (iti.ne.10 .and. iti.ne.ntyp1) then
           ind1=ind1+1
           ii1= ind1+m1
           A(ii,ii1)=1.0d0
-          Gmat(ii1,ii1)=ISC(iti)
+          Gmat(ii1,ii1)=ISC(iabs(iti))
         endif
       enddo
 c  Off-diagonal elements of the dX part of A