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Hi Dan-- Dan Fishelovitch <[email protected]> wrote: > Attached is my input file and output file for xplor for covariance > analysis. > I have got 7 dcd files with 800 frame for each dcd file each 500 fs > steps and in total 400000 steps for each dcd file (400ps) > The output file reads only 800 (I think the last 800 ones). > 1- > What is wrong with my input and can I add another dcd file with a > different time jump and less frames? It looks like your input file is fine. Either a) the files really only contain 400000 steps, or b) NAMD and XPLOR don't agree on the format. You might try creating a short traj file with say 500 steps, and see if you can get Xplor-NIH to read the correct number of frames. If not, you might send me the trajectory (and psf) so I can figure out what's wrong. > 2- > Can I read several dcd files and go over all of them in one run? It should be fine. Maybe the cause for returning only 800 frames is due to the previous errors? hope this helps-- Charles -----BEGIN PGP SIGNATURE----- Version: GnuPG v1.4.2.2 (GNU/Linux) Comment: Processed by Mailcrypt 3.5.8 <http://mailcrypt.sourceforge.net/> iD8DBQFEOnH2PK2zrJwS/lYRAsBwAKCC81bDOFkHtD4LAxq9+3mEH51LvgCfc+ti WjjiP2OmMALaY9NOiKImAZg= =Etxv -----END PGP SIGNATURE-----
