Re: [AMBER] Amber18 PIMD tutorial

From: Sapna Shedge <sapnavshedge.gmail.com>
Date: Sat, 18 Apr 2020 15:56:58 -0700

Thank you so much David!!

Sent from my iPhone

> On Apr 18, 2020, at 5:53 AM, David A Case <david.case.rutgers.edu> wrote:
>
> ´╗┐On Fri, Apr 17, 2020, Sapna Shedge wrote:
>>
>> Can some one direct me to the tutorial for doing PIMD simulation using
>> amber18. My system has 19575 atoms. Is it too big for PIMD simulation?
>
> The PIMD capability in Amber is a decade old, and has not been developed
> recently. In particular, newer schemes that allow for many fewer beads
> to be used have not been implemented.
>
> However, 19,000 atoms doesn't seem to big, depending on the precision
> you need. Doing a Google search on "amber pimd tutorial" shows the
> following as the first hit:
>
> http://jianliugroup.pku.edu.cn/tutorial-lscivr/tutorial-lscivr.html
>
> ...hope this helps....dac
>
>
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Received on Sat Apr 18 2020 - 16:00:02 PDT
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