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Merge branch 'UCGM' of mmka.chem.univ.gda.pl:unres4 into UCGM
[unres4.git]
/
source
/
unres
/
MREMD.f90
diff --git
a/source/unres/MREMD.f90
b/source/unres/MREMD.f90
index
1e5ad50
..
69b8ae9
100644
(file)
--- a/
source/unres/MREMD.f90
+++ b/
source/unres/MREMD.f90
@@
-934,7
+934,7
@@
ene_i_iex=remd_ene(0,i)
! write (iout,*) "0,iex",remd_t_bath(iex)
ene_i_iex=remd_ene(0,i)
! write (iout,*) "0,iex",remd_t_bath(iex)
-! call enerprint(remd_ene(0,iex))
+ call enerprint(remd_ene(0,iex))
call sum_energy(remd_ene(0,iex),.false.)
if (real(ene_iex_iex).ne.real(remd_ene(0,iex))) then
call sum_energy(remd_ene(0,iex),.false.)
if (real(ene_iex_iex).ne.real(remd_ene(0,iex))) then