[gmx-users] eneconv error
chris.neale at utoronto.ca
chris.neale at utoronto.ca
Tue Jan 30 18:05:06 CET 2007
Could be because single precision times are not exact and if you are
using grompp restarts and not tpbconv then your first file might end
at time 200.0001 ps and the next one starts at 200ps or some variation
on this. One option to get around this for now is to first eneconv
your files so that they don't contain any overlapping frames (e.g.
take the last frame off each file) and then eneconv them together.
Chris.
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