[gmx-users] g_rms -prev option .. strange behaviour
baaden at smplinux.de
Thu Aug 8 12:57:33 CEST 2002
>> -prev is an int option which is the number of frames, not picoseconds.
Yes, that is why there was a value of 50 (frames) which times 10 ps steps
gives 500 ps difference, or to say it the other way round, 50 frames is
what should be correct. But the result is not.
So what I am saying is that in my opinion the -prev option is not working
properly, and I wonder whether anybody can confirm (or not) this.
>> Using -m, with -f2 or with two trajectories in one file, gives a comparison
>> between all frames in the trajectories, which gives much more information
>> than -prev.
Yes, I have done that and it works. But in fact I do NOT want the matrix,
but a simple line plot as a function of time (which would correspond to the
matrix diagonal I believe).
Dr. Marc Baaden - Laboratory of Molecular Biophysics, Oxford University
mailto:baaden at smplinux.de - ICQ# 11466242 - http://www.marc-baaden.de
FAX/Voice +49 697912 39550 - Tel: +44 1865 275380 or +33 609 843217
More information about the gromacs.org_gmx-users