[gmx-users] g_select vs trjorder

leila karami karami.leila1 at gmail.com
Thu Mar 8 15:35:26 CET 2012

Dear Justin

Thanks for your reply.

I know, with g_select, I obtain index groups that tell me which atoms
satisfy the given criteria and with trjorder, the coordinates of those
atoms are reordered such that they are listed in sequence in the new
trajectory. But g_select gives an output file (size.xvg) and trjorder gives
an output file (nshell.xvg). Both of these output files contain number of
atoms satisfy the given criteria. In my case these number are not the same
at the special frame. Why?
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