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REMD with HOMOL_NSET>1 and single weight for all homology restraints
[unres.git]
/
examples
/
unres
/
MD
/
Berendsen
/
ff_gab
/
start.mat
diff --git
a/examples/unres/MD/Berendsen/ff_gab/start.mat
b/examples/unres/MD/Berendsen/ff_gab/start.mat
index
25089bc
..
f0caa89
100755
(executable)
--- a/
examples/unres/MD/Berendsen/ff_gab/start.mat
+++ b/
examples/unres/MD/Berendsen/ff_gab/start.mat
@@
-1,7
+1,6
@@
#PBS -N Ber-gab-MD
#PBS -q dque
#PBS -l nodes=1:ppn=8
#PBS -N Ber-gab-MD
#PBS -q dque
#PBS -l nodes=1:ppn=8
-# #PBS -l mem=2gb
#PBS -l walltime=2:00:00
setenv MPIRUN "/users/software/mpich-1.2.7p1_intel-10.1_em64_ssh/bin/mpirun "
#PBS -l walltime=2:00:00
setenv MPIRUN "/users/software/mpich-1.2.7p1_intel-10.1_em64_ssh/bin/mpirun "