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

[pascal.baillod at epfl.ch]

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 



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Pascal Baillod (PhD student) 
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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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