Re: [NAMD] Define time-dependent grid force

From: The Cromicus Productions (thecromicusproductions_at_gmail.com)
Date: Thu Jul 26 2018 - 18:57:14 CDT

Thanks for your reply Giacomo! I tried to understand the source file but
I'm too amateur for that, hope someone has an idea of how to use it :)

On Fri, Jul 20, 2018 at 10:29 PM, Giacomo Fiorin <giacomo.fiorin_at_gmail.com>
wrote:

> 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
>

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