Don't use -timestep. Just -skip will do for what you want. ----- Original Message ---- From: "[EMAIL PROTECTED]" <[EMAIL PROTECTED]> To: gmx-users@gromacs.org Sent: Tuesday, May 8, 2007 7:20:39 PM Subject: [gmx-users] Trjconv: reducing frames and Time issue
Hello All, I have a xtc file and I used trjconv on it to reduce the number of frames using: trjconv -f original.xtc -o reduced-frames.xtc -s xx.tpr -timestep 20 -fit rot+trans -skip 2 -center no Now I have two xtc files for a 10ns simulation: original.xtc reduced-frames.xtc I did gmxcheck to check the number of frames and time (I will show the results for both below). The problem is: the number of frames is reduced by half however the time shown on the reducedframes.xtc is increased!! (from 10 000 ps to 100 000 ps).. I cant understand what this means? I did a g-cluster analysis and they r saying I did a 100 000ps simulation which it not true! can anyone explain this to me? original.xtc Reading frame 0 time 0.000 # Atoms 5100 Precision 0.001 (nm) Last frame 5000 time 10000.000 Item #frames Timestep (ps) Step 5001 2 Time 5001 2 Lambda 0 Coords 5001 2 Velocities 0 Forces 0 Box 5001 2 reduced-frames.xtc Reading frame 0 time 0.000 # Atoms 92 Precision 0.001 (nm) Last frame 2500 time 100000.000 Item #frames Timestep (ps) Step 2501 40 Time 2501 40 Lambda 0 Coords 2501 40 Velocities 0 Forces 0 Box 2501 40 _______________________________________________ gmx-users mailing list gmx-users@gromacs.org http://www.gromacs.org/mailman/listinfo/gmx-users Please search the archive at http://www.gromacs.org/search before posting! Please don't post (un)subscribe requests to the list. Use the www interface or send it to [EMAIL PROTECTED] Can't post? Read http://www.gromacs.org/mailing_lists/users.php __________________________________________________ Do You Yahoo!? Tired of spam? Yahoo! Mail has the best spam protection around http://mail.yahoo.com _______________________________________________ gmx-users mailing list gmx-users@gromacs.org http://www.gromacs.org/mailman/listinfo/gmx-users Please search the archive at http://www.gromacs.org/search before posting! Please don't post (un)subscribe requests to the list. Use the www interface or send it to [EMAIL PROTECTED] Can't post? Read http://www.gromacs.org/mailing_lists/users.php
