PSF file

From: KIRTANA S (skirtana4_at_gmail.com)
Date: Tue May 12 2009 - 14:29:05 CDT

I am a first time user of NAMD and need assistance in construting the psf
file .In tutorial as its mentioned regarding creation of psf file using
psfgen for ubiquitin .
The command lines
 set ubq [atomselect top protein ]
$ubq writepdb ubqp.pdb

What should I replace if I am using metals like gold with methylthiolates .I
need some advise in this regard.

Thanks
Kirtana

This archive was generated by hypermail 2.1.6 : Wed Feb 29 2012 - 15:52:47 CST