Dear Professor David Case,
Kindly please send us Amber16 code for our research group of academic
institution.
I sent you all forms already three times.
Many thanks.
Professor Kholmirzo Kholmurodov.
David A Case писал 05.02.2020 15:52:
> On Wed, Feb 05, 2020, DHEERAJ CHITARA wrote:
>>
>> How periodic boundary conditions works with rectangular box and
>> octahedral
>> box in amber.
>
> As before, you question is not clear enough for anyone to provide a
> answer. Lots of aspects of molecular simulations depend on the
> boundary
> conditions, so asking how it "works" doesn't really tell us what you
> want to know. Are you interested in how forces are calculated, how
> dynamics are propagated, how neighbor lists are constructed, ....?
>
> Textbooks on molecular simulations (such as the Allen and Tildesley
> classic) describe the basic operations of periodic boundary conditions.
> Any deep understanding would require a lot of work, and would require
> you to become pretty familiar with the innards of Amber codes.
>
> ....dac
>
>
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Received on Wed Feb 05 2020 - 05:30:02 PST
