Re: NAMD initial coordinate file

From: Chris Harrison (
Date: Mon Jan 10 2011 - 06:27:07 CST


Use the PDB, as long as there is a corresponding PSF NAMD will still
be able to read it until you reach 10's of millions of atoms.


Chris Harrison, Ph.D.
Theoretical and Computational Biophysics Group
NIH Resource for Macromolecular Modeling and Bioinformatics
Beckman Institute for Advanced Science and Technology
University of Illinois, 405 N. Mathews Ave., Urbana, IL 61801                            Voice: 217-244-1733               Fax: 217-244-6078
On Fri, Jan 7, 2011 at 12:10 AM, Ismail, Mohd F. <> wrote:
> Does NAMD take any other format for initial input file?  I want to create a
> system with over 100,000 atom, but PDB files will start to print out ******
> for atom number over 99,999.  Is there a way to make NAMD read charmm
> coordinate file?
> Best,
> Farid

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