Hi Qinghua
Good news !! Do you mean that the plumed's patching procedure works with Amber 18 ?
Thanks
Pierre
Le 10/10/2018 à 21:23, Qinghua Liao a écrit :
> Hello Pierre,
>
> I am not sure whether there is a plumed version working with Amber 12,
> but I do know that Amber 18 (16, or 17) works fine with the latest
> version of plumed.
>
> Plumed can be interfaced with sander, but not pmemd.
>
> All the best,
> Qinghua
>
>
> On 10/10/2018 08:05 PM, Pierre GIRARD wrote:
>> Hello everybody,
>>
>> I'm a computer engineer working for theoretical chemists. I was asked to
>> install plumed (http://www.plumed.org/) with Amber. At the time being,
>> we have Amber versions 10, 12 and 18.
>>
>> As far as I understood, there is no plumed version for Amber 12. Am I
>> correct ?
>>
>> Does anyone know if Amber 18 works with last version of plumed (2.4) ?
>>
>> Thanks a lot
>>
>> Pierre
>>
>
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--
Pierre GIRARD
Expert en Calcul Scientifique
Equipe CIRE
Département de Chimie Moléculaire (DCM)
UMR CNRS-UJF 5250, ICMG FR-2607
Université Joseph Fourier - Grenoble 1
UFR de Chimie, Bâtiment C
BP 53, 38041 GRENOBLE cedex 9
Tél: 04 76 51 41 87
Fax: 04 76 63 57 54
---
L'absence de virus dans ce courrier électronique a été vérifiée par le logiciel antivirus Avast.
https://www.avast.com/antivirus
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Received on Wed Oct 10 2018 - 14:00:02 PDT
