[gmx-users] Constant pH simulations

Ullmann, Thomas thomas.ullmann at mpibpc.mpg.de
Sun Jul 6 21:40:35 CEST 2014


Not yet, but we are working on it.


R. Thomas Ullmann, PhD
Theoretical & Computational Biophysics
Max Planck Institute for Biophysical Chemistry
Am Fassberg 11
37077 Göttingen, Germany
thomas.ullmann at mpibpc.mpg.de

From: gromacs.org_gmx-users-bounces at maillist.sys.kth.se [gromacs.org_gmx-users-bounces at maillist.sys.kth.se] on behalf of Douglas Grahame [dgrahame at uoguelph.ca]
Sent: Sunday, July 06, 2014 6:48 PM
To: gromacs.org_gmx-users at maillist.sys.kth.se
Subject: [gmx-users] Constant pH simulations

Hi everyone, I was wondering if anyone has any experience or knows of a
tutorial site that I could look at for performing constant pH simulations.
I've checked out the info on the gromacs.org web site and a few others such
as (http://www.mpibpc.mpg.de/247796/usage) but I was wondering if there is
anything more up to date than what I've found so far. Cheers,

-Douglas Grahame

BSc. MSc. PhD. Candidate

dgrahame at uoguelph.ca

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