VMD-L Mailing List
From: John Stone (johns_at_ks.uiuc.edu)
Date: Wed Nov 13 2002 - 15:06:39 CST
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Dear Mark,
What version of AMBER are you running? There are a few possibilities,
but we'll need more details in order to help you get it done.
Thanks,
John Stone
vmd_at_ks.uiuc.edu
On Wed, Nov 13, 2002 at 03:59:33PM -0500, Mark Zottola - Contractor wrote:
> I am trying to use VMD for a visualization project here. I am using AMBER
> to generate a dynamics trajectory. AMBER produces a .crd file containing
> the coordinates of the system at each time step sampled (sampling every 25
> fs on a rather long simulation). It turns out that VMD will not read the
> file because AMBER's idea of crd and VMD's idea of crd are two different
> things.
>
> Now I would LIKE to visualize the trajectory using VMD. Is there any way I
> can massage my CRD file to make it readable to VMD or is there a relatively
> easily obtained CRD to DCD converter out there?
>
> This is, unfortunately a "time is of the essence" request, so quick replies
> are deeply appreciated.
> *****************************************************************
> Dr. Mark A. Zottola
> PET Director of Computational Chemistry and Materials
> Army Research Laboratory MSRC
> PB 191 939-I Beards Hill Road
> Aberdeen MD 21001
> VOICE: 410 278 7250 FAX: 410 297 9521
-- NIH Resource for Macromolecular Modeling and Bioinformatics Beckman Institute for Advanced Science and Technology University of Illinois, 405 N. Mathews Ave, Urbana, IL 61801 Email: johns_at_ks.uiuc.edu Phone: 217-244-3349 WWW: http://www.ks.uiuc.edu/~johns/ Fax: 217-244-6078
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