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<DIV><FONT color=#000000 size=2 face=Arial>Dear Gromacs users,</FONT></DIV>
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<DIV><FONT size=2 face=Arial>I need trjconv to write me pdb files at a list of frames that are randomly chosen throughout the whole production trajectory (they belong to the least energetic 100 frames). </FONT></DIV>
<DIV><FONT size=2 face=Arial>I can use trjconv to write a pdb at each frame but this is gonna be time consuming, so I looked in the specifications of trjconv and found that</FONT></DIV>
<DIV><FONT size=2 face=Arial>there is an optional input -fr frames.ndx, I guess this might be useful for what I want but I am not quite sure how to write an index file for randomly distributed frames points not</FONT></DIV>
<DIV><FONT size=2 face=Arial>for atoms or residues, the command make_ndx doesn;t provide any options for frames of time points!!</FONT></DIV>
<DIV><FONT size=2 face=Arial>I tried to create an ndx file manually by writing the frames numbers in a txt file, calling it frames.ndx, feed this to the -fr option of trjconv, as I expected, trjconv dealt with</FONT></DIV>
<DIV><FONT size=2 face=Arial>the numbers as numbers of atoms not of frames! How can I tell trjconv that the numbers in frames.ndx file are actually numbers of specific time points not of residues.</FONT></DIV>
<DIV><FONT size=2 face=Arial></FONT> </DIV>
<DIV><FONT size=2 face=Arial>Any help or hint is very appreciated..</FONT></DIV>
<DIV>Thanks alot</DIV>
<DIV><FONT size=2 face=Arial></FONT> </DIV>
<DIV><FONT size=2 face=Arial>Hassan</FONT></DIV></FONT></DIV></BODY></HTML>