Re: [gmx-users] Trajectory: reducing

2006-06-16 Thread Mark Abraham
Alessandro Mattozzi wrote: Hi all is it possible to process a trajectory so to get the reduced trajectory with a predifined reducing timestep T? I.e. averaging the positions every T? If you don't want averaging then you can use trjconv, obviously. Given that trajectory snapshots adjacent in t

Re: [gmx-users] Trajectory: reducing

2006-06-16 Thread David van der Spoel
Alessandro Mattozzi wrote: Hi all is it possible to process a trajectory so to get the reduced trajectory with a predifined reducing timestep T? I.e. averaging the positions every T? Regards Alessandro g_rmsf produces averages over a trajectory. You probably have to run a script. Alessand

[gmx-users] Trajectory: reducing

2006-06-16 Thread Alessandro Mattozzi
Title: Trajectory: reducing Hi all is it possible to process a trajectory so to get the reduced trajectory with a predifined reducing timestep T? I.e. averaging the positions every T? Regards Alessandro  Alessandro Mattozzi M.Phil., Ph.D. student Dept. of Fibre and Polymer Technology Royal I