[gmx-users] -b option for g_order
b.griepernau at bioinformatik.uni-saarland.de
Thu Dec 1 14:13:30 CET 2005
I did a simulation of a membrane over a time period of 50ns writing out
coordinates every picosecond.
Next I edited the .xtc-file to get a new .xtc file keeping only the
data of every 10th step using trjconv and option -skip.
On this new .xtc-file I applied g_order with different beginning and
ending times (option -b and -e).
For most beginning and ending times this procedure works well, but for
beginning times around 46000ps the routine 'g_order' gets stuck: I
don't get an error message, but just the notice
'Skipping frame 0time 45890.000' .
Using later start times > 46100 works well again.
I checked my .xtc file using several other routines, e.g. gmxcheck and
trjconv to write a snapshot of the trajectory at the time im question,
and it worked well.
Does anybody know why this problem occurs and how it can be solved?
Thanks for your help.
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