[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.
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