[gmx-users] Form of 10-4 Wall Potential Function.

Berk Hess 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.
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