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gfortran foxes in src_CSA/energy_p_new_barrier.F, src_CSA_DiL/energy_p_new_barrier...
[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
..
d4d6be6
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
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
enddo
endif
c Open the pdb file for snapshotshots
@@
-1858,7
+1857,7
@@
c Removing the velocity of the center of mass
call chainbuild_cart
call kinetic(EK)
if (tbf) then
call chainbuild_cart
call kinetic(EK)
if (tbf) then
- call verlet_bath(EK)
+ call verlet_bath
endif
kinetic_T=2.0d0/(dimen3*Rb)*EK
if(me.eq.king.or..not.out1file)then
endif
kinetic_T=2.0d0/(dimen3*Rb)*EK
if(me.eq.king.or..not.out1file)then