From: "Yin Jian" <[EMAIL PROTECTED]>
Reply-To: Discussion list for GROMACS users <[email protected]>
To: "Discussion list for GROMACS users" <[email protected]>
Subject: RE: [gmx-users] FW: rvdw
Date: Fri, 20 Jul 2007 15:40:33 +0800
Thanks, Hess.
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
solute.
Regards,
Jian
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 particle,
since there will be no specific interactions between the solvent and the big
solvent particle.
One can therefore just as well use large solvent particles and speed
up the simulation.
Berk.
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