From: Giacomo Fiorin (giacomo.fiorin_at_gmail.com)
Date: Fri Oct 05 2018 - 11:43:51 CDT
On Fri, Oct 5, 2018 at 11:00 AM Mani Kandan <manikandand5110_at_gmail.com>
wrote:
> Dear all,
>
> To apply 40 V
>
Are you sure about this number?
> voltage across the membrane, I am converting voltage into e-field E = V /
> lz where V -Voltage in V and lz - the length of the system in A. and
> namd unit conversion 1 V/A = 23.0451 kcal/ mol A e is used. Is this method
> is correct?
>
>
> What is the effective way to apply voltage in namd?
>
https://www.ks.uiuc.edu/Research/namd/2.13b1/ug/node42.html
> What is meant by e field normalized and how it related to voltage?
>
The above link explains also what eFieldNormalized means. If it's unclear
to you, try being specific with your request. For example, if you do not
know what "reciprocal lattice vectors" are, look them up and it should be
much clearer to you.
Just like when you deal with large voltages in real life, you want to know
what's going on yourself before trying anything else.
Giacomo
-- Giacomo Fiorin Associate Professor of Research, Temple University, Philadelphia, PA Contractor, National Institutes of Health, Bethesda, MD http://goo.gl/Q3TBQU https://github.com/giacomofiorin
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