On 14/06/2011 6:09 PM, Kavyashree M wrote:
Dear users,
gmxcheck on the .xtc file shows that simulation has run for 100ns
but while calculating energy terms using ener.edr file, it gives "nan"
error -
Sounds like you have managed to calculate only on a subset of your data.
I'm guessing t
Dear users,
gmxcheck on the .xtc file shows that simulation has run for 100ns
but while calculating energy terms using ener.edr file, it gives "nan" error
-
Energy Average Err.Est. RMSD Tot-Drift
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