Re: Simulation of a 1000 water molecules

From: griadi_at_utalca.cl
Date: Thu Aug 03 2006 - 15:12:37 CDT

How about the solvate plugin in VMD?
http://www.ks.uiuc.edu/Research/vmd/plugins/solvate/

Gonzalo

Mensaje citado por "Shenoy, Sukesh" <sukeshshenoy_at_neo.tamu.edu>:

> I want to generate the psf file for simulating a 1000 water molecules. The
> problem is that NAMD requires that the psf contain the bonds, angles and
> dihedral information for all the 1000 water molecules. It is cumbersome and
> time consuming to do this manually. Does anybody know how one can do this
> quickly (through a program perhaps)?
>
> Sukesh
>
>
>
>

-------------------------------------------------
Este mensaje fue enviado por: http://webmail.utalca.cl

This archive was generated by hypermail 2.1.6 : Wed Feb 29 2012 - 15:43:53 CST