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REMD with HOMOL_NSET>1 and single weight for all homology restraints
[unres.git]
/
source
/
unres
/
src_MD
/
MREMD.F
diff --git
a/source/unres/src_MD/MREMD.F
b/source/unres/src_MD/MREMD.F
index
7ae6430
..
ed655a8
100644
(file)
--- a/
source/unres/src_MD/MREMD.F
+++ b/
source/unres/src_MD/MREMD.F
@@
-59,7
+59,7
@@
cdeb imin_itime_old=0
endif
mremd_rst_name=prefix(:ilen(prefix))//"_mremd.rst"
-cd print *,'MREMD',nodes
+cd print *,'MREMD',nodes,homol_nset
cd print *,'mmm',me,remd_mlist,(remd_m(i),i=1,nrep)
cde write (iout,*) "Start MREMD: me",me," t_bath",t_bath