Hi everybody,
I am trying to simulate a lipid bilayer and wanted to use Parrinello Rahman
coupling. However, I read that Parinello-Rahman is not great for
equilibration so I thought I would do a small run using the Berendsen
barostat to decrease the chances of large oscillations. I then used the
what happens to your energy before the observed crash? does the crash
happen at the same time-step each time?
Dr. Vitaly Chaban
On Tue, Jun 11, 2013 at 5:22 PM, Neha nshafi...@wesleyan.edu wrote:
Hi everybody,
I am trying to simulate a lipid bilayer and wanted to use Parrinello Rahman
ref_p= 0.0 0.0 ??
Are you sure about this??
On Tue, Jun 11, 2013 at 12:08 PM, Dr. Vitaly Chaban vvcha...@gmail.comwrote:
what happens to your energy before the observed crash? does the crash
happen at the same time-step each time?
Dr. Vitaly Chaban
On Tue, Jun 11,
On 6/11/13 1:13 PM, HANNIBAL LECTER wrote:
ref_p= 0.0 0.0 ??
Are you sure about this??
That's a likely culprit. See below for another.
On Tue, Jun 11, 2013 at 12:08 PM, Dr. Vitaly Chaban vvcha...@gmail.comwrote:
what happens to your energy before the observed
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