[AMBER] CompEL in AMBER

From: Abdul-Rashid III Sampaco <absampaco.up.edu.ph>
Date: Mon, 5 Jul 2021 13:10:21 +0800

Hi AMBER,

I just wanted to try asking here as a last resort before moving forward.

Does AMBER have the functionality for the Computational Electrophysiology
<https://www.sciencedirect.com/science/article/pii/S0006349511007065?via%3Dihub>(compEL)
methodology developed by Kutzner et al?

It seems to be available exclusively in GROMACS. It's just that it would be
a lot more convenient if it's also available on AMBER because of the ease
of membrane protein system preparation provided by PACKMOL.

-- 
Best,
Rashid
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Received on Sun Jul 04 2021 - 22:30:02 PDT