[gmx-users] Widom insertion

Berk Hess gmx3 at hotmail.com
Mon Jun 26 10:55:36 CEST 2006




>From: "David L. Bostick" <dbostick at physics.unc.edu>
>Reply-To: Discussion list for GROMACS users <gmx-users at gromacs.org>
>To: gmx-users at gromacs.org
>Subject: [gmx-users] Widom insertion
>Date: Sun, 25 Jun 2006 10:45:46 -0400 (EDT)
>
>
>Hello,
>
>I remember at one point seeing a note that some form of particle insertion
>was implemented in gmx.  Is/was it there? How can I figure out how to use
>it properly?

I have implemented tpi in 3.3.
The mdp options html page describe how to use it.
I hope it provides enough information.

Berk.





More information about the gromacs.org_gmx-users mailing list