[gmx-users] Form of 10-4 Wall Potential Function.
gmx3 at hotmail.com
Fri Jun 12 19:15:15 CEST 2009
It is plain 10-4.
The difference is probably due to the coefficients.
With 10-4 mdrun integrates with a uniform atom density on the wall plane.
The tables simply use the table times the C12 and C6 parameters
without any other factor.
> Date: Thu, 11 Jun 2009 17:34:10 -0700
> From: ttrudeau at uvic.ca
> To: gmx-users at gromacs.org
> Subject: [gmx-users] Form of 10-4 Wall Potential Function.
> Could someone clarify the form of the 10-4 potential function used in
> GROMACS walls? Is it really 10-4, and not 10-4-3?
> We have tried to create our own 10-4 potential using tables but it doesn't
> match the results of the built-in GROMACS wall type.
> gmx-users mailing list gmx-users at gromacs.org
> Please search the archive at http://www.gromacs.org/search before posting!
> Please don't post (un)subscribe requests to the list. Use the
> www interface or send it to gmx-users-request at gromacs.org.
> Can't post? Read http://www.gromacs.org/mailing_lists/users.php
Express yourself instantly with MSN Messenger! Download today it's FREE!
-------------- next part --------------
An HTML attachment was scrubbed...
More information about the gromacs.org_gmx-users