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Merge branch 'prerelease-3.2.1' of mmka:unres into prerelease-3.2.1
[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
f9a48fc
..
89fde29
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)
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
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
endif
enddo
c Off-diagonal elements of the dX part of A