[gmx-users] (no subject)

Ran Friedman ran at hemi.tau.ac.il
Tue Oct 5 18:40:33 CEST 2004


Use trjconv and an index file.


herbst at fhi-berlin.mpg.de wrote:

>Hi all,
>I need to read the coordinates of certain atoms from my trr-file from my
>simulation. I have seen that the trr file can be converted to ascii with
>gmxdump, but the files are very large,and for I have 500 ns simulations
>and I need to do that for a lot of simulations, I do not have enough
>Is there any way to extract only the coordinates for, say, atom 3 - 6, for
>every timestep? How would you do it?
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Ran Friedman
Laser Laboratory for Fast Reactions in Biology
Department of Biochemistry
Faculty of Life Sciences
Tel-Aviv University
Tel. +972-3-6409824
Fax. +972-3-6409875

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