Re: Implementing decaying potential (non-linear potential)

From: Athreya, Nagendra Bala Murali (nathreya_at_illinois.edu)
Date: Thu Jun 17 2021 - 11:28:43 CDT

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Hi Giacomo,

Sorry for the very late response. I was able to create some grids and run some simulations. Thank you for the help!

Nagendra
________________________________
From: Giacomo Fiorin <giacomo.fiorin_at_gmail.com>
Sent: Thursday, January 28, 2021 2:20 PM
To: NAMD list <namd-l_at_ks.uiuc.edu>; Athreya, Nagendra Bala Murali <nathreya_at_illinois.edu>
Subject: Re: namd-l: Implementing decaying potential (non-linear potential)

Hi Nagendra, GridForces has the ability among others to apply a voltage that depends on the position in space.

You'll need to create an OpenDX file for your potential for your decaying voltage. One way that I used for this was a Python script that uses the gridData module packaged with MDAnalysis. There are certainly other solutions--_000_CH2PR11MB42933BE045446DB1151FA97FA70E9CH2PR11MB4293namp_--

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