> Your input file looks fine to me, but you might try setting ntx=7 -- I can't
> remember exactly when we changed the code to read the box information from
> the restart file, even when ntx=5.
One way to see if you are being bitten by ntx=5 + older amber version
is to plot out your volume or density for all segments of the run. It
will show resetting to the initial value at each restart if ntx=7
should have been set.
This is worth graphing anyway since it could show a trend related to
the vlimit problem (increasing box size).
Bill
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Received on Mon Jul 26 2010 - 18:30:05 PDT
