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Dodanie przykladow do MD, REMD, MREMD i mikrokanonicznego
[unres.git]
/
source
/
unres
/
src_MD
/
MD_A-MTS.F
diff --git
a/source/unres/src_MD/MD_A-MTS.F
b/source/unres/src_MD/MD_A-MTS.F
index
30d72a7
..
acbffa9
100644
(file)
--- a/
source/unres/src_MD/MD_A-MTS.F
+++ b/
source/unres/src_MD/MD_A-MTS.F
@@
-1681,8
+1681,7
@@
c if the friction coefficients do not depend on surface area
stdforcp(i)=stdfp*dsqrt(gamp)
enddo
do i=nnt,nct
- stdforcsc(i)=stdfsc(iabs(itype(i)))
- & *dsqrt(gamsc(iabs(itype(i))))
+ stdforcsc(i)=stdfsc(itype(i))*dsqrt(gamsc(itype(i)))
enddo
endif
c Open the pdb file for snapshotshots