On 6/15/19 8:56 AM, paul buscemi wrote:
The pressure on a (real-life) membrane is not isotropic, edges are under
tension. so using the p-couple “surface-tension” - with water layers is
appropriate.
Applying surface tension and semiisotropic coupling will result in
different ensembles. Th
The pressure on a (real-life) membrane is not isotropic, edges are under
tension. so using the p-couple “surface-tension” - with water layers is
appropriate.
If you use p-couple = isotropic you should end up with a micelle because the
hydrophobic effects are significant.
p
> On Jun 14,
Dear Bratin,
When I am using a semiisotropic condition the pbc box is
deforming/compressing pushing the lipid bilayer apart. I am attaching the
screenshots of the system at the beginning(normal.png) of production run as
well as at the end of 30ns simulation (elongated.png) for your reference.
Thi
Hi
Why you want to do isotropic?
On Fri 14 Jun, 2019, 12:16 PM Prasanth G, Research Scholar, <
prasanthgha...@sssihl.edu.in> wrote:
> Dear all,
>
> Can someone please tell me if it is okay to use isotropic pcoupltype for a
> membrane protein simulation? Are there any disadvantages?
>
> Also,
Dear all,
Can someone please tell me if it is okay to use isotropic pcoupltype for a
membrane protein simulation? Are there any disadvantages?
Also, why is semiisotropic preferred over isotropic, in membrane protein
simulations..
Thank you.
--
Regards,
Prasanth.
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