Re: [AMBER] Query about amber 16, external electric field support

From: Kshatresh Dutta Dubey <kshatresh.gmail.com>
Date: Sun, 1 May 2016 17:25:03 +0300

Dear Charles,

Thanks for your quick reply. Now I can find it.
Regards
Kshatresh

On Sun, May 1, 2016 at 5:15 PM, Charles Lin <clin92.ucsd.edu> wrote:

> This currently only works on cpu (gpu support will be coming as a patch
> hopefully within a few months). efx, efy, efz, efn, efphase, and effreq
> are the mdin variable names.
>
> -Charlie
>
> ________________________________________
> From: Kshatresh Dutta Dubey [kshatresh.gmail.com]
> Sent: Sunday, May 01, 2016 6:54 AM
> To: AMBER Mailing List
> Subject: [AMBER] Query about amber 16, external electric field support
>
> Dear Developers,
>
> I found that external electric field effect is supported in recent release
> of Amber 16 (mentioned in release note on Amber web and page 355 of manual)
> . However I went (not very thoroughly) through the manual but didnt find
> how does recent release support external electric field in MD simulations
> and what are the keywords to use?
> I will be very thankful if someone helps me to get proper reference for
> using external electric field with Amber 16 so that I can convince my
> mentor to purchase recent release.
> Thanks in advance.
>
> --
> With best regards
>
> ************************************************************************************************
> Kshatresh Dutta Dubey
> Post Doctoral Researcher,
> c/o Prof Sason Shaik
> Lise Meitner Center for Computational Quantum Chemistry
> Hebrew University of Jerusalem Israel
> Jerusalem, Israel
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-- 
With best regards
************************************************************************************************
Kshatresh Dutta Dubey
Post Doctoral Researcher,
Lise Meitner Center for Computational Quantum Chemistry
Hebrew University of Jerusalem Israel
Jerusalem, Israel
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Received on Sun May 01 2016 - 07:30:05 PDT
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