[gmx-users] Incomplete frame,while running trjconv .....

pavan payghan pavanapex at gmail.com
Tue Jan 5 18:19:29 CET 2010


HI
    i have to create .xtc file to save my disk space,but while i was running
it using trjconv i got warning message
    "incomplete frame".Actually i was running my system on four nodes with
mdrun_mpi but it stopped due to
     unavailability of disk space so from this it is certain that my system
run well and ,when i tried to run trjconv i got such error
     message ,surprisingly this incomplete frame is in the middle portion of
the simulation.
     if this frame was incomplete how come mdrun will continue the
simulation after that time frame?
     what else reason may be behind this and wht are the possible ways to
overcome this problem?
     another thing im using pressure coupling during production mdrun has it
been the reason ?
     can u also explain why we generally cut off pressure coupling during
production mdrun?
                                            will you please help me
                                                 THANKING YOU
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