[gmx-users] charge correction in prodrg

Justin Lemkul jalemkul at vt.edu
Sun Jul 28 17:16:49 CEST 2019



On 7/28/19 11:13 AM, Andrew Bostick wrote:
> Dear Justin,
>
> Thanks for your answer. Does ATB need no correction?

You should never view any server as a black box that would never require 
modification, but ATB is substantially more reliable than PRODRG. I have 
seen many ATB topologies that are, however, perfectly valid.

-Justin

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Justin A. Lemkul, Ph.D.
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