Re: Alchemical FEP calculations in Implicit Solvent

From: jostmey . (jostmey_at_gmail.com)
Date: Mon Feb 23 2015 - 13:21:57 CST

No, I am not using one of the CUDA versions of NAMD. I tried the
precompiled binaries for both NAMD_2.9_Linux-x86 and
NAMD_2.10_Linux-x86_64 on my debian workstation.

- Jared

P.S. Let me know if there is a proper way to reply to a message in
this mailing list.

On Mon, Feb 23, 2015 at 1:08 PM, MEHRAN MB <mb.mehran1_at_gmail.com> wrote:
> 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
>>
>

-- 
Jared L. Ostmeyer
University of Chicago
(417) 540-8028

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