What does gmxcheck tell you about these .trr files?
Also, it is better to give exact command lines with copy-pasted screen
output, instead of leaving us to guess at what you're trying.
-Justin
[EMAIL PROTECTED] wrote:
Dear colleagues,
I successfully finished a 3 ns gromacs run using 40
nodes. When, I tried to convert .trr file to .xtc using trjconv, the
run stops at 560 frame giving error "cannot determimine precision of
trn file". I tried various options like -skip, -b and -e, -dt option
as well as -ndx option . But, each time, the run stops at 560.
The second run I gave for 6 ns and this time, the
trjconv stops at 1180 frame. I have observed the .trr files occupying
huge memory space - 18 G for 3ns and 34 G for 6 ns runs respectively.
Memory is not a problem, as I have lot of disk space available.
My system is a pentamer with 1052 residues and 47201 water
molecules.The simulation ran for 5 days.
I would be extremely thankful for any kind of suggestions in this regard.
Prema,
Graduate student,
University of Houston.
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--
========================================
Justin A. Lemkul
Graduate Research Assistant
Department of Biochemistry
Virginia Tech
Blacksburg, VA
jalemkul[at]vt.edu | (540) 231-9080
http://www.bevanlab.biochem.vt.edu/Pages/Personal/justin
========================================
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