Re: Alchemical FEP calculations in Implicit Solvent

From: MEHRAN MB (mb.mehran1_at_gmail.com)
Date: Mon Feb 23 2015 - 13:08:56 CST

Hi Jared,
Are you using CUDA version of NAMD?

On Mon, Feb 23, 2015 at 2:04 PM, jostmey . <jostmey_at_gmail.com> wrote:

> I tried running an alchemical FEP calculation using implicit solvent.
> I received this error message:
>
> FATAL ERROR: GBIS not compatible with Alchemical Transformations
>
> Is this feature not supported in NAMD, or could it be that I
> incorrectly setup my system?
>
> Appreciated,
> Jared
>
>

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