[gmx-users] how to extract frames
diego.enry at gmail.com
Tue Feb 27 22:58:31 CET 2007
Hello Tanos !
check trjconv help,
-dt time 0 Only write frame when t MOD dt = first time (ps)
So you may try:
trjconv -s $input.tpr -f $input.xtc -o output.pdb -dt 10
On 2/27/07, Tanos França <tanos at ime.eb.br> wrote:
> Hi folks,
> I can not remember how to procedure to extract frames from the .trr
> file after the dynamics simulation. I have performed a MD simulation of
> 1 ns with a step 0,5 fs and I would like to know how to extract frames
> in .pdb files at each 10 ps. Could someone help me with this matter ?
> Best regards
> Tanos França.
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Diego Enry B. Gomes
Laboratório de Modelagem e Dinamica Molecular
Universidade Federal do Rio de Janeiro - Brasil.
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