From: Brian Bennion (brian_at_youkai.llnl.gov)
Date: Thu Aug 03 2006 - 15:05:16 CDT
standalone psfgen or the new autopsf in VMD will give you what you want.
On Thu, 3 Aug 2006, Shenoy, Sukesh wrote:
> 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
>
>
************************************************
Brian Bennion, Ph.D.
Biosciences Directorate
Lawrence Livermore National Laboratory
P.O. Box 808, L-446 bennion1_at_llnl.gov
7000 East Avenue phone: (925) 422-5722
Livermore, CA 94550 fax: (925) 424-5513
************************************************
This archive was generated by hypermail 2.1.6 : Wed Feb 29 2012 - 15:43:53 CST