From: Chris Harrison (charris5_at_gmail.com)
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 char_at_ks.uiuc.edu Voice: 217-244-1733 http://www.ks.uiuc.edu/~char Fax: 217-244-6078 On Fri, Jan 7, 2011 at 12:10 AM, Ismail, Mohd F. <farid_at_ou.edu> 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 >
This archive was generated by hypermail 2.1.6 : Mon Dec 31 2012 - 23:19:42 CST