VMD-L Mailing List
From: John Stone (johns_at_ks.uiuc.edu)
Date: Mon Jun 18 2007 - 16:43:13 CDT
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Hi,
If you want to load in just a single frame, you would do something
like this:
mol addfile alanin.dcd type dcd first 99 last 99 step 1 waitfor -1 0
Cheers,
John Stone
vmd_at_ks.uiuc.edu
On Wed, Jun 13, 2007 at 03:28:30PM +0200, Philipp Schoen1 wrote:
>
> dear vmd-users,
> i want to read the latest frame, i.e. the newest positions of my atoms in
> order to write a new reference file for steering MD calculations.
> if i use a command like:
> >> mol load pdb ******.pdb dcd ******.dcd <<
> everything works fine, but this command reads the whole trajectory (frame 0
> to 1000) and i am actually only interested in the last frame (1000). there
> must be a way for reading only the last frame such as:
> >> mol new {******.pdb} type pdb <<
> >> mol addfile {******.dcd} last <<
> however, vmd dies directly after putting this command. the users guide says
> that one can use mol addfile like this.
>
> i tried different things as well, such as:
> a) different types of writing this command as >> ....} frame last <<, >>
> ....} last last <<, and so on. for reasons of my particular problem, i
> cannot put the integer refering to the last frame, i.e. i cannot write >>
> ....} last 1000 <<.
> b) and writing >> mol addfile {******.dcd} type dcd last << leads to the
> situation that the whole trajectory (from 0 to 1000) is read. i guess last
> is just ignored.
>
> can someone help me on this problem? what is the correct syntax?
> cheers
> philipp
-- 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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