Re: [NAMD] Define time-dependent grid force

From: Giacomo Fiorin (giacomo.fiorin_at_gmail.com)
Date: Fri Jul 20 2018 - 21:29:25 CDT

Hi Sebastian, looking at the source code in Gerrit there is an
updateGridScale command, which is not documented yet. I haven't tried it,
but it should be possible to call it in between run command. Perhaps one
of the UIUC people can give more details.

Giacomo

P.S. Please do not use links to very old NAMD versions.

On Fri, Jul 20, 2018 at 1:53 PM The Cromicus Productions <
thecromicusproductions_at_gmail.com> wrote:

> Hi everyone,
>
> I'm playing with some grids (
> http://www.ks.uiuc.edu/Research/namd/2.9/ug/node43.html) and I'd like to
> have a time-dependent gridforcescale to make the field be sinusoidal. That
> is, I'd like
> the gridforcescale to be someting like [expr cos(2*t)].
> My question is the following: how can I refer to the instantaneous
> simulation time in the NAMD input file?
>
> Thanks a lot,
>
> Sebastian
>

-- 
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

This archive was generated by hypermail 2.1.6 : Fri Sep 20 2019 - 23:19:52 CDT