[gmx-users] FW: rvdw
smayinj at nus.edu.sg
Fri Jul 20 10:40:09 CEST 2007
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.
From: gmx-users-bounces at gromacs.org
[mailto:gmx-users-bounces at gromacs.org] On Behalf Of Berk Hess
Sent: Friday, July 20, 2007 4:30 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 15:40:33 +0800
>The idea behind this order difference in coarse-grained scaling size
>is to keep solvent relative smaller to the target particle, or say
>after coarse-graining, solvent is still solvent and solute is still
I don't understand what you mean with the second sentence.
But with respect to the first one, in most cases it does not make much
sense to have small solvent particles around a big coarse-grained
since there will be no specific interactions between the solvent and the
One can therefore just as well use large solvent particles and speed
up the simulation.
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