Hello Pierre,
There is no need for patching. You can install Amber 18 and Plumed
separately,
then SANDER and Plumed can be interfaced automatically by adding "
plumed = 1, plumedfile='plumed.dat' "
to the input files for SANDER.
All the best,
Qinghua
On 10/10/2018 10:35 PM, Pierre GIRARD wrote:
>
> 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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>
>
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Received on Wed Oct 10 2018 - 14:00:03 PDT
