VMD-L Mailing List

From: McGuire, Kelly (mcg05004_at_byui.edu)
Date: Thu May 03 2018 - 18:53:18 CDT

Out of curiosity, is NAMD capable of simulating something as large as a virus or a complete cell? Where do I begin learning on how to assemble a system like that and simulate it?

Kelly L. McGuire

PhD Scholar

Department of Physiology and Developmental Biology

Brigham Young University

LSB 3050

Provo, UT 84602

________________________________
From: John Stone <johns_at_ks.uiuc.edu>
Sent: Thursday, May 3, 2018 9:22:22 AM
To: McGuire, Kelly
Cc: VMD Mailing LIst
Subject: Re: vmd-l: CellPack

Hi,
  This is something we're definitely interested in doing, but
haven't had any free time to work on thus far. If someone is
interested in getting started on this I would be happy to help
them get the ball rolling. At the most basic level, I think that
this could largely be done via scripting. A more sophisticated
implementation might eventually involve some custom molfile plugin code.

Best,
  John Stone
  vmd_at_ks.uiuc.edu

On Thu, May 03, 2018 at 04:03:31AM +0000, McGuire, Kelly wrote:
> Are there any plans to integrate CellPack with VMD?
>
> Kelly L. McGuire
>
> PhD Scholar
>
> Department of Physiology and Developmental Biology
>
> Brigham Young University
>
> LSB 3050
>
> Provo, UT 84602 

--
NIH Center for Macromolecular Modeling and Bioinformatics
Beckman Institute for Advanced Science and Technology
University of Illinois, 405 N. Mathews Ave, Urbana, IL 61801
http://www.ks.uiuc.edu/~johns/           Phone: 217-244-3349
http://www.ks.uiuc.edu/Research/vmd/