<html><head><style type="text/css"><!-- DIV {margin:0px;} --></style></head><body><div style="font-family:times new roman, new york, times, serif;font-size:12pt"><div style="font-family: times new roman,new york,times,serif; font-size: 12pt;">-dropunder<br>-dropover<br><br><div style="font-family: times new roman,new york,times,serif; font-size: 12pt;">----- Original Message ----<br>From: "pascal.baillod@epfl.ch" <pascal.baillod@epfl.ch><br>To: gmx-users@gromacs.org<br>Sent: Tuesday, June 12, 2007 1:57:25 AM<br>Subject: [gmx-users] trjconv -drop drop.xvg ??<br><br><div>Dear community,<br><br>Could anybody help me out with the -drop option of trjconv? I would like to have<br>trjconv re-write an xtc trajectory dropping frames of given time values that I<br>inserted into a file called "drop.xvg". This file looks like:<br><br>1<br>4.5<br>etc.<br><br>(one single column with times (ps) of the frames I do not want to rewrite)<br><br>I then run <br><br>trjconv -f myTraj.xtc
-o myShortTraj.xtc -s ... -drop drop.xvg<br><br>..but the trajectory is just identically re-written, with all frames (i.e.<br>myShortTraj.xtc same number of frames, same frames as myTraj.xtc). I guess I<br>should add some "data" in myDrop.xvg, as suggested by the manual, but I don't<br>see what I have to add.. <br><br>Thanks for any help!!<br><br>Pascal<br><br><br><br><br>*******************************************************************************<br>Pascal Baillod (PhD student) <br>*******************************************************************************<br>Swiss Federal Institute of Technology EPFL Tel: +41-(0)21-693-0322<br>Institute of Chemical Sciences and Engineering , Fax: +41-(0)21-693-0320<br>Laboratory of Computational Chemistry and Biochemistry pascal.baillod@epfl.ch<br>Room BCH 4121, Avenue
Forel, <a target="_blank" href="http://lcbcpc21.epfl.ch">http://lcbcpc21.epfl.ch</a><br>CH-1015 Lausanne <br>*******************************************************************************<br>_______________________________________________<br>gmx-users mailing list gmx-users@gromacs.org<br><a target="_blank" href="http://www.gromacs.org/mailman/listinfo/gmx-users">http://www.gromacs.org/mailman/listinfo/gmx-users</a><br>Please search the archive at <a target="_blank" href="http://www.gromacs.org/search">http://www.gromacs.org/search</a> before posting!<br>Please don't post (un)subscribe requests to the list. Use the<br>www interface or send it to gmx-users-request@gromacs.org.<br>Can't post? Read <a target="_blank"
href="http://www.gromacs.org/mailing_lists/users.php">http://www.gromacs.org/mailing_lists/users.php</a><br></div></div><br></div></div></body></html>