[gmx-users] Re(2): trjconv -drop drop.xvg ??

pascal.baillod at epfl.ch pascal.baillod at epfl.ch
Tue Jun 12 10:22:03 CEST 2007

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 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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