#!/bin/bash

echo '112345498 142' > randomseed.ini

#./mcgen -d defs.ini -u units.ini -r randomseed.ini -p params.ini -c chains.ini -f field.ini -v vdw.ini -x LiCl.xyz --verbose
time ./mcgen -d defs.ini -u units.ini -r randomseed.ini -p params.ini -c chains.ini -f field.ini -v vdw.ini -x LiCl.xyz

mybabel -x mcgen.xyz -P mcgen.pdb
#mv mcgen.xyz mcgen1.xyz

#mv mcgen.dump mcgen.rest
#
#./mcgen -d defs.ini -u units.ini -r randomseed.ini -p params.ini -c chains.ini -f field.ini -v vdw.ini -x LiCl.xyz -e mcgen.rest
#
#diff -s -q mcgen.rest mcgen.dump

#Display the molecul
#gdis

