[gmx-users] empty velocity *.xvg file from g_traj

Inon Sharony InonShar at post.TAU.ac.IL
Tue Oct 28 08:41:30 CET 2008


  Good morning!

Firstly, I'd like to thank congratulate everyone involved for ver 4.0


Now for business:

I'm getting empty *.xvg files from g_traj... this doesn't always
happen, and I can't find what I'm doing differently... I'm running
version 3.3.3 on Ubuntu:

--------------------------------------------------------------------------------

grompp_d -f eq -c b4eq -n -t
mdrun_d -c b4md -v

grompp_d -f md -c b4md -n -t
mdrun_d -c md -v

g_traj_d -n -ox x_ndxgrp1 -ov v_ndxgrp1

--------------------------------------------------------------------------------

gives me two *.xvg files:
the x_ndxgrp1 file is fine, but v_ndxgrp1 has an xmgrace formatting  
header, and then no data afterward. This formatting information agrees  
with the number of atoms in the group ndxgrp1.

what am I doing wrong?

-- 
Inon   Sharony
ינון     שרוני
+972(3)6407634
atto.TAU.ac.IL/~inonshar
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