[gmx-users] charge correction in prodrg

Justin Lemkul jalemkul at vt.edu
Sun Jul 28 16:47:35 CEST 2019



On 7/28/19 10:26 AM, Andrew Bostick wrote:
> Dear gromacs users,
>
> I want to do MD simulation of some protein-ligand complexes. For ligand
> molecules, I used prodrg server. How to do charge correction in prodrg
> results. Please guide me about that.

Use ATB instead.

-Justin

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Justin A. Lemkul, Ph.D.
Assistant Professor
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