#!/bin/bash

# Submit a serial pmemd job
export AMBERHOME=/programs/amber12
export PATH=/programs/amber12/bin:/programs/amber12/bin:/programs/local/bin:/programs/bin:/usr/local/sbin:/usr/local/bin:/usr/sbin:/usr/bin:/sbin:/bin:/usr/games:./:/opt/torque/bin:/programs/gpu/bin:/usr/lib6
4/qt-3.3/bin:/usr/local/bin:/bin:/usr/bin
export LD_LIBRARY_PATH=/programs/local/lib:/programs/lib:/usr/local/lib:::/programs/lib:/usr/local/lib64:/usr/local/lib:/lib64:/lib:/usr/lib64:/usr/lib

# Production Restart
#
/programs/amber12/bin/pmemd \
 -p ../input/32_SolCl.parm7 \
 -c prod2.rst7 \
 -i prod_restart3.in \
 -o prod3.o \
 -r prod3.rst7 \
 -x prod3.nc \
 -inf prod3.info \
 -l prod3.log 
#

