residue name and segment name

From: Tamal Banerjee (
Date: Thu Apr 06 2006 - 02:05:07 CDT

I am doing my simulation on certain compounds in which one molecule is a
combination of cation and anion pair.

So in the PSF file should i give a seperate residue name to both the
cation and anion?

A single name to both the cation and anion.
Also let me know what will be its segment name.
I am doing a simulation on 100 such pairs on PBC condition.
Please advise

Tamal Banerjee

This archive was generated by hypermail 2.1.6 : Wed Feb 29 2012 - 15:41:52 CST