Dear community, Could anybody help me out with the -drop option of trjconv? I would like to have trjconv re-write an xtc trajectory dropping frames of given time values that I inserted into a file called "drop.xvg". This file looks like:
1 4.5 etc. (one single column with times (ps) of the frames I do not want to rewrite) I then run trjconv -f myTraj.xtc -o myShortTraj.xtc -s ... -drop drop.xvg ..but the trajectory is just identically re-written, with all frames (i.e. myShortTraj.xtc same number of frames, same frames as myTraj.xtc). I guess I should add some "data" in myDrop.xvg, as suggested by the manual, but I don't see what I have to add.. Thanks for any help!! 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
