, 2010 14:10
> Subject: [gmx-users] Computational Alanine Scanning
> To: gmx-users@gromacs.org
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> > Dear all,
> > I'm trying use GROMACS to ca
- Original Message -
From: Binh Khanh Mai
Date: Tuesday, May 18, 2010 14:10
Subject: [gmx-users] Computational Alanine Scanning
To: gmx-users@gromacs.org
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>
>
> Dear all,
> I'm trying use GRO
Dear all,
I'm trying use GROMACS to calculate binding free energy with MM-PBSA method
and do Computational Alanine Scanning. After run MD and obtain pdb files, I use
PYMOL to mutate one residue to Alanine to estimate the energy difference
between 2 structures. My issue is that I don't kn
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