[gmx-users] xtc files

David spoel at xray.bmc.uu.se
Thu Mar 31 22:25:14 CEST 2005

On Thu, 2005-03-31 at 14:16 -0600, Dinesh Pinisetty wrote:
> Hello all,
>           When I visualize a simulation which is run for 20ns in VMD,it
> shows up for 5min.I want to reduce the xtc file drastically such that the
> simulation should show up for only 1min.To concatenate xtc file to this
> extent does trjcat command works.I have checked the manual,but could not
> figure out how to reduce the size such that co-ordinates will be stored for
> every 10,000 steps instead of every thousand steps as in my traj.xtc file.
> Is there any other command in gromacs which reduces the size of traj.xtc
> file.I want start time to be 0 and end time to be 20ns but the cooordinates
> should be stored such that simulation should be played for very less time.
>   Any suggestions would be greatly appreciated.
trjconv -dt
trjconv -skip

> Thanking you,
> Dinesh.
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David van der Spoel, PhD, Assoc. Prof., Molecular Biophysics group,
Dept. of Cell and Molecular Biology, Uppsala University.
Husargatan 3, Box 596,          75124 Uppsala, Sweden
phone:  46 18 471 4205          fax: 46 18 511 755
spoel at xray.bmc.uu.se    spoel at gromacs.org   http://xray.bmc.uu.se/~spoel

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