Re: [gmx-users] on the NPT equilibration of the on-line tutorial of lysozyme

2012-04-12 Thread Justin A. Lemkul
Acoot Brett wrote: 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 pre

[gmx-users] on the NPT equilibration of the on-line tutorial of lysozyme

2012-04-12 Thread Acoot Brett
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 smoo