[gmx-users] extract certain structure from trajectory
muta.mestri at gmail.com
Mon Jan 9 06:37:53 CET 2006
trjconv with -dump option, (give the time in ps), then it will dump the file
at that time
On 1/8/06, Rongliang Wu <wurl04 at iccas.ac.cn> wrote:
> Hello gmx-users,
> i've finished a NPT simulation, but the structure file i get at the
> end is that of the last frame, if i'd like to get a structure of a certain
> time from the trajectory file, which command should i use? trjconv? or
> anything else?
> Rongliang Wu
> State Key Laboratory
> of Polymer Physics and Chemistry
> Center of Molecular Science
> Institute of Chemistry
> Chinese Academy of Sciences
> wurl04 at iccas.ac.cn
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Graduate Research Assistant,
Old Dominion University, "VIRGINIA".
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