#!/bin/csh -f
#PBS -l nodes=1:ppn=32
#PBS -l walltime=12:00:00
#PBS -j oe
#PBS -q batch
#PBS -N 2BDM_cpz
#PBS -M tec3@utah.edu

set echo
set sim = 2BDM_cpz

echo "Running equilibration for $sim"

set mpirun = "mpirun -np 32 "
set pmemd = "~/pmemd-a10"

cd /bessemer/cheatham/P450/$sim

set pre = 44
set cur = 45

$mpirun $pmemd -O -i mdin -o mdout.$cur -p $sim.topo -c restrt.$pre \
    -r restrt.$cur -x traj.$cur -e ener.$cur