[gmx-users] extract certain structure from trajectory
Mark.Abraham at anu.edu.au
Mon Jan 9 06:34:24 CET 2006
Rongliang Wu 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?
Section 7.4 of the manual lists all of the utility programs by topic and
a quick description. Start there and then look at the man pages (also
found in the manual) for the programs you think might be useful. One of
them is useful for this task.
This question inspired me to count the number of times I reply to a post
and include the suggestion that reading the manual / manpage /
documentation / webpage / literature would be a good thing to do. In
December I posted 45 times, and 15 of those included this suggestion :-)
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