Re: Parameter in configuration NVE or NPT

From: David Tanner (guacamoleo_at_gmail.com)
Date: Wed Feb 16 2011 - 08:37:31 CST

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For constant pressure, look for "langevinPiston" in the NAMD user's
guide.

~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
David E. Tanner
Theoretical and Computational Biophysics Group
3159 Beckman Institute
University of Illinois at Urbana-Champaign
405 N. Mathews
Urbana, IL 61801
http://www.linkedin.com/in/davidetanner
~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~

On Feb 15, 2011, at 11:17 AM, snoze pa wrote:

Dear NAMD Users,

I am wondering if you can share your thoughts related to NVE and NPT
simulation. What are parameters I should change in NPT and NVE
conditions in NAMD configuration file.

Thanks
S

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