From: Ana Celia Vila Verde (A.C.AraujoVilaVerde_at_uva.nl)
Date: Wed Mar 02 2011 - 12:21:44 CST
Hi,
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.
Thanks,
Ana
-- _______________________________________________________ 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 Portugal E-mail: avilaverde_at_fisica.uminho.pt _______________________________________________________
This archive was generated by hypermail 2.1.6 : Mon Dec 31 2012 - 23:19:52 CST