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Fix bug in PBC-fix script #1

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Fix bug in PBC-fix script #1

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2 changes: 1 addition & 1 deletion Bash_scripts/1-PBC-fix.sh
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Expand Up @@ -14,6 +14,6 @@ module load compilers/intel/2018/update3
module load mpi/intel/2018/update3/intel
module load gromacs/2019.3/intel-2018

cd $SGE_TASK_IDd
cd $SGE_TASK_ID

echo 1 | gmx trjconv -s md_0_1.tpr -f md_0_1.trr -o md-pbc.trr -pbc whole -nice -19