From: Sourav Pal (sourav.pal_at_csiriicb.in)
Date: Mon Jul 17 2017 - 01:11:55 CDT

Hello, actually I want to perform SMD on a fixed groups of atoms. That why needed to make TCL script where i can see the addgroup options are there to select the groups of atoms. can anyone help me how to get atomID or addgroups executed?