Dear Yang Ye, Thank you very much for the helpful suggestion. With options -dropunder and -dropover and -drop, I can indeed truncate the trajectory written by trjconv, but not the way I wish.
In the following example, I have a 50ps trajectory with frames saved every 1.5ps. I would like to write a new trajectory containing only the frames at times 12, 13.5 and 16.5. The best I managed, playing with the options, was trjconv -f 50ps.xtc ....... -drop myDrop.xvg -dropover 12 -dropunder 9 ..with the following in myDrop.xvg: 10.5000 8.0000 12.0000 9.0000 13.5000 10.0000 16.5000 12.0000 18.0000 13.0000 ..where the 2nd col contains the frame numbers (1, 2, 3 till the last, with respective times of 0, 1.5ps, etc. in the 1st col). I obtain a new trajectory that contains 4 frames, at times 12, 13.5, 15 and 16.5ps. I would like the same but without the frame at 15ps, as specified in my myDrop.xvg file.. Thanks for any further suggestion! Pascal ******************************************************************************* Pascal Baillod (PhD student) ******************************************************************************* Swiss Federal Institute of Technology EPFL Tel: +41-(0)21-693-0322 Institute of Chemical Sciences and Engineering , Fax: +41-(0)21-693-0320 Laboratory of Computational Chemistry and Biochemistry [EMAIL PROTECTED] Room BCH 4121, Avenue Forel, http://lcbcpc21.epfl.ch CH-1015 Lausanne ******************************************************************************* _______________________________________________ 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
