From: Aliasghar Alizadeh-Mojarad (ali.alizadehmoj_at_gmail.com)
Date: Wed Nov 22 2017 - 17:14:40 CST
Yes, thanks.
On Mon, Nov 20, 2017 at 7:29 AM, Brian Radak <brian.radak_at_gmail.com> wrote:
> The multiple copy and replica exchange algorithms all require MPI. They
> will not work with multicore.
>
> On Sat, Nov 18, 2017 at 7:03 PM, Aliasghar Alizadeh-Mojarad <
> ali.alizadehmoj_at_gmail.com> wrote:
>
>> Hello,
>> Thanks for your reply. I found the answer. For running REMD, multi-core
>> NAMD 2.13 which is now the only available version does not work.
>>
>> Best wishes,
>> Ali
>>
>> On Sat, Nov 18, 2017 at 4:58 PM, Chitrak Gupta <chgupta_at_mix.wvu.edu>
>> wrote:
>>
>>> Hi Aliasghar,
>>>
>>> Even older versions of NAMD can run REMD (I have used 2.10 and 2.12).
>>> What error did you receive?
>>>
>>>
>>> Chitrak.
>>>
>>> On Fri, Nov 17, 2017 at 7:02 PM, Aliasghar Alizadeh-Mojarad <
>>> ali.alizadehmoj_at_gmail.com> wrote:
>>>
>>>> Dear users,
>>>> I am writing to ask NAMD 2.13 is capable of running replica exchange MD
>>>> (REMD)? I ran REMD with this Nightly version of NAMD but I got the error. I
>>>> would appreciate any helps.
>>>>
>>>> Best wishes,
>>>> Ali
>>>> --
>>>> Sincerely,
>>>> Aliasghar Alizadeh-Mojarad
>>>>
>>>>
>>>>
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>>>>
>>>
>>>
>>
>>
>> --
>> Sincerely,
>> Aliasghar Alizadeh-Mojarad
>>
>>
>
-- Sincerely, Aliasghar Alizadeh-Mojarad
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