No, net charge density estimated from experimental data.
Best regards
Yuguang
-Original Message-
From: [EMAIL PROTECTED]
[mailto:[EMAIL PROTECTED] On Behalf Of David van der Spoel
Sent: Saturday, September 01, 2007 4:49 PM
To: Discussion list for GROMACS users
Subject: Re: [gmx-users] charge density of lipid
Mu Yuguang (Dr) wrote:
Dear all,
How to estimate the charge density of a lipid , the reason we want to
do
is that we try a model system to mimic the lipid environment.
It seems out of GROMACS discussion range, but I believe many Gromacs
users do lipid simulations.
do you mean electron density? In that case there are plenty of tools in
the CCP4 suite of programs.
Best regards
Yuguang
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David van der Spoel, Ph.D.
Molec. Biophys. group, Dept. of Cell Molec. Biol., Uppsala University.
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