6. parmed#
1#!/bin/bash
2
3module load ambertools23
4
5init="step3_pbcsetup"
6
7parmed -p ${init}.parm7 <<_EOF
8loadRestrt ${init}.rst7
9setOverwrite True
10add12_6_4 :MG watermodel TIP3P
11outparm ${init}_1264.parm7 ${init}_1264.rst7
12_EOF