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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