From ce952bbd733621e7263004ffd1ec2e2a84bceb67 Mon Sep 17 00:00:00 2001 From: Naev <63109284+NAEV95@users.noreply.github.com> Date: Wed, 4 Jun 2025 00:58:22 +0100 Subject: [PATCH] Fix path in PBC-fix script --- Bash_scripts/1-PBC-fix.sh | 2 +- 1 file changed, 1 insertion(+), 1 deletion(-) diff --git a/Bash_scripts/1-PBC-fix.sh b/Bash_scripts/1-PBC-fix.sh index 8fed379..f972c2d 100644 --- a/Bash_scripts/1-PBC-fix.sh +++ b/Bash_scripts/1-PBC-fix.sh @@ -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