Wprowadznie potencjalow SC-COR do multichain oraz ich pseudosymetrii dla

[unres.git] / source / unres / src_MD-M / lagrangian_lesyng.F

diff --git a/source/unres/src_MD-M/lagrangian_lesyng.F b/source/unres/src_MD-M/lagrangian_lesyng.F
index 9611f90..f8834ea 100644 (file)
--- 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)
+        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