[gmx-users] Re: Query regarding toplogy of Manganese ion in protein

[sonali dhindwal]

Hello,

I have a Manganese ion in my protein, for which i want to run MD simulation.
Could
you please help me to know how to generate topology file for Manganese
and which force field to use, as none of the force field in Gromacs
supports Mn ion.
Please Help
Regards

--
Sonali Dhindwal

--- On Wed, 24/3/10, sonali dhindwal <sonali11dhindwal at yahoo.co.in> wrote:

From: sonali dhindwal <sonali11dhindwal at yahoo.co.in>
Subject: Query regarding toplogy of Manganese ion in protein
To: gmx-users at gromacs.org
Date: Wednesday, 24 March, 2010, 5:35 PM

Hello,

I have protein in my protein, for which i want to run MD simulation.
Could you please help me to know how to generate topology file for Manganese and which force field to use, as none of the force field in Gromacs supports Mn ion.
Please Help
Regards

--
Sonali Dhindwal


       
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