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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Received on Sun May 01 2016 - 07:30:03 PDT
