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