[gmx-users] FW: rvdw

Yin Jian smayinj at nus.edu.sg
Fri Jul 20 11:05:32 CEST 2007

Thanks a lot, Hess.
By the way, what is the cutoff criteria used in Gromacs, is it
nonzero overlap between LJ-spheres or the mass-centers reside
in the LJ-sphere? Since these two are significantly different
in the dynamics way of cutoff.
I may take a look of the code ns.c. later.


-----Original Message-----
From: gmx-users-bounces at gromacs.org [mailto:gmx-users-bounces at gromacs.org] On Behalf Of Berk Hess
Sent: Friday, July 20, 2007 4:56 PM
To: gmx-users at gromacs.org
Subject: RE: [gmx-users] FW: rvdw

>From: "Yin Jian" <smayinj at nus.edu.sg>
>Reply-To: Discussion list for GROMACS users <gmx-users at gromacs.org>
>To: "Discussion list for GROMACS users" <gmx-users at gromacs.org>
>Subject: RE: [gmx-users] FW: rvdw
>Date: Fri, 20 Jul 2007 16:40:09 +0800
>Hi Hess,
>Thanks for your comments, although we have difference in this
>topic. The carrier of depletion force at least for me is
>not sure. So we want to do a test anyway in this way.

Ah, now I understand what you want to do.

For that it would help to have different cut-offs.
We are (currently) not going to implement such a thing.
But is should not be too difficult to modify the cut-off
check for the neighborlist in ns.c.


Need a brain boost? Recharge with a stimulating game. Play now!  

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

More information about the gromacs.org_gmx-users mailing list