[gmx-users] trjconv -drop drop.xvg ??

Yang Ye leafyoung at yahoo.com
Mon Jun 11 20:10:51 CEST 2007


----- Original Message ----
From: "pascal.baillod at epfl.ch" <pascal.baillod at epfl.ch>
To: gmx-users at gromacs.org
Sent: Tuesday, June 12, 2007 1:57:25 AM
Subject: [gmx-users] trjconv -drop drop.xvg ??

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:


(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 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    pascal.baillod at epfl.ch
Room BCH 4121, Avenue Forel,                            http://lcbcpc21.epfl.ch
CH-1015 Lausanne    
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