Dear All,
For the on-line tutorial of Justin Lemkul on NPT equilibriation
(http://www.bevanlab.biochem.vt.edu/Pages/Personal/justin/gmx-tutorials/lysozyme/07_equil2.html),
if we extend the npt simulation time from 100 ps to 200 ps, is any possibility
that the black pressure curve would be smooth? Is this extension necessary in
order to get the smooth black curve?
I install my gromacs under cygwin. When I do DISPLAY=:0.0 xmgrace -nxy
Density.xvg,
only the non-smoothed black cure exist, and the red curve does not exist. Will
you please tell me how to have the red curve occur?
Cheers,
Acoot
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