[gmx-users] xtc files

Dinesh Pinisetty dpinis1 at lsu.edu
Thu Mar 31 22:16:27 CEST 2005





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.
Thanking you,
Dinesh.




More information about the gromacs.org_gmx-users mailing list