VMD-L Mailing List

From: Axel Kohlmeyer (akohlmey_at_gmail.com)
Date: Tue Nov 01 2011 - 17:09:50 CDT

On Tue, Nov 1, 2011 at 5:17 PM, rohan uttarwar <rohan.uttarwar_at_wayne.edu> wrote:
> Hi,
> I am working on coarse graining of polymer system. In order to convert my
> atomistic trajectory into coarse grained, I am using RBCG plug-in of VMD. I
> created a file that defines different beads and now I am able to convert
> selected frame of atomistic trajectory into coarse grained one according to
> bead definitions that I created. Unfortunately there is no way to convert
> more than one frames from atomistic to CG. I have to select individual
> frames one by one and convert them into CG structure. Does anyone know how
> can I select more than one frames of atomistic trajectory to convert into
> coarse grained trajectory?

different mailing list, same reply:

what is the point of creating a "coarse grain trajectory"
if you already have an all-atom one?

axel.

> Any kind of suggestion would be very appreciated,

> --
> Rohan G. Uttarwar
> PhD Student
> Dept. of Chemical Engg & Material Science,
> Wayne State University,
> Detroit, MI.
> 

-- 
Dr. Axel Kohlmeyer
akohlmey_at_gmail.com  http://goo.gl/1wk0
College of Science and Technology
Temple University, Philadelphia PA, USA.