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New examples for GAB force fields (restrained, unrestrained, CLUSTER,
[unres.git]
/
examples
/
unres
/
CSA
/
GAB
/
CSA
/
global
/
unrestrained
/
reminimize
/
run
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#PBS -N unres_csa_dfa
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#PBS -q special
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#PBS -l nodes=2:ppn=4
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set NPROCS=`cat $PBS_NODEFILE | wc -l`
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cd $PBS_O_WORKDIR
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/users/local/mpich-1.2.7p1_intel-10.1_em64_ssh/bin/mpirun -machinefile $PBS_NODEFILE -np $NPROCS \
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-p4wd $PBS_O_WORKDIR $PBS_O_WORKDIR/unres_4P.csh
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