From b1cbc7654c9849832f704ba6e3231cabc555e231 Mon Sep 17 00:00:00 2001
From: ygutier2 <yair.fosado@ed.ac.uk>
Date: Sat, 2 Jul 2022 20:46:18 +0100
Subject: [PATCH] final changes commit
---
3_oxView/2_equilibration/bash.run.sh | 7 +++++--
1 file changed, 5 insertions(+), 2 deletions(-)
diff --git a/3_oxView/2_equilibration/bash.run.sh b/3_oxView/2_equilibration/bash.run.sh
index 936ccda..4795c59 100755
--- a/3_oxView/2_equilibration/bash.run.sh
+++ b/3_oxView/2_equilibration/bash.run.sh
@@ -1,7 +1,10 @@
#!/bin/bash
+#Current working directory variable
+cwd=`pwd`
#Location of the LAMMPS executables
-LAMMPSparallel="/Disk/ds-sopa-personal/ygutier2/SoftwareMD/lammps-29Sep2021/exec/lmp_mpi_29Sep2021"
+LAMMPS="${cwd}/../../lmp_serial_29Sept2021"
+LAMMPSparallel="${cwd}/../../lmp_mpi_29Sept2021"
#Name of the lammps script to run
lscript="oxDNA.commands"
@@ -30,4 +33,4 @@ cwd=`pwd`
echo "variable seed equal ${r1}" > parameters.dat
echo "variable seed1 equal ${r2}" >> parameters.dat
- mpirun -np ${ncpu} ${LAMMPSparallel} -in ${lscript}
+ mpirun -np ${ncpu} ${LAMMPSparallel} -in ${lscript}
\ No newline at end of file
--
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