[gmx-users] Obtain frames from every one ps

Ashalatha Sreshty sreshtyphd at gmail.com
Tue Apr 9 08:13:22 CEST 2013

Dear All,

I need help in obtaining frames from every one ps of a trajectory. My
problem is as described:

I obtained a 100ns trajectory, I get one frame for every 5 ps from my
initial, but my new trajectory is generated by catenating different frames
that fall in the bins of PCA space of the first two PC components with
lowest energy. Now that, I want to do the analysis like angle average, RMSD
etc on all the frames, I would like to know how to obtain frames from this
new trajectory at every one ps.

Please help me. Thanks in advance.

Dr. Asha Latha Sreshty,
Post Doctoral Fellow,
Molecular Biophysics Unit,
Indian Institute of Science,
Bangalore - 560012

More information about the gromacs.org_gmx-users mailing list