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[ESPResSo] using rigid bonds
From: |
Ana Vila Verde |
Subject: |
[ESPResSo] using rigid bonds |
Date: |
Fri, 11 Apr 2008 14:35:52 +0200 |
User-agent: |
Thunderbird 2.0.0.9 (X11/20071115) |
Dear Espresso users/developers,
I am interested in trying rigid bonds in espresso. I had a look at the
documentation but I need a little more information: in what units should
I input the positional tolerance and velocity tolerance? Can anyone
provide a short explanation about what is the meaning of velocity
tolerance in this context? I am not familiar with the algorithm used to
implement rigid bonds, so I don't know why we need a velocity tolerance.
Thank you for your attention. Best regards,
Ana
--
_______________________________________________________
Ana Vila Verde
Post-doctoral scholar
FOM Institute for Atomic and Molecular Physics [AMOLF]
P.O.Box 41883
1009 DB Amsterdam
The Netherlands
Phone: +31-20-6081392
Fax: +31-20-6684106
E-mail: address@hidden
University of Minho
Physics Center
Campus de Gualtar
4710-057 BRAGA
Portugal
E-mail:address@hidden
_______________________________________________________
- [ESPResSo] using rigid bonds,
Ana Vila Verde <=