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Commit b1cbc765 authored by Yair Fosado's avatar Yair Fosado
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final changes commit

parent d95a214e
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#!/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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