Re: Use of RBCG to convert multiple frames from atomistic trajectory to Coarse grained

From: Axel Kohlmeyer (akohlmey_at_gmail.com)
Date: Tue Nov 01 2011 - 14:59:27 CDT

On Tue, Nov 1, 2011 at 2:13 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?

what is the point of simulating first in all-atom and then
converting the entire trajectory to coarse grain?

axel.

> Any kind of suggestion would be very appreciated,
> Regards,
> Rohan.
>
> --
> 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.

This archive was generated by hypermail 2.1.6 : Wed Feb 29 2012 - 05:24:31 CST