example psf and pdb files for simulations with tip4p

From: Ana Celia Vila Verde (A.C.AraujoVilaVerde_at_uva.nl)
Date: Wed Mar 02 2011 - 12:21:44 CST


Two things:

I'm interested in simulating tip4p/2005 water using namd. Would anybody
share a tested pdb and psf file for tip4p water (which has the same
interaction sites but different parameters) so I can be sure the format
of my own files is correct? The reason I need them is that I don't know
how namd handles the massless negative particle in tip4p water, so I
don't know which information (bonds ,angles, dihedrals, impropers) needs
to be listed in the psf file.



Ana Vila Verde
Post-doctoral scholar
Van 't Hoff Institute for Molecular Science
University of Amsterdam
Visiting Address:
Science Park 904, room C2.221
1098 XH Amsterdam
The Netherlands
Postal address:
PO Box 94157
1090 GE Amsterdam
The Netherlands
Phone: +31-(0)20-525-5141
E-mail: A.C.AraujoVilaVerde_at_uva.nl
University of Minho
Physics Center
Campus de Gualtar
4710-057 BRAGA
E-mail: avilaverde_at_fisica.uminho.pt

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