coarse grained simulation

From: Demet Akten (
Date: Fri Mar 28 2008 - 09:11:19 CDT

Dear All,

I am interested in residue-based coarse grained simulation for two
different systems;protein-water and protein-membrane-water systems.
The goal here is to equilibrate them at constant NPT. What would be
the forcefield/parameter file I should use for each system?

Also, how does one obtain .psf files for the coarse-grained .pdb file
you obtain from CGTools/VMD?


Demet Akten-Akdogan, Ph.D.
Research Associate
Polymer Research Center
Bogazici University

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