[gmx-users] KALP in DPPC

[Piggot T.]

If you are wanting to study things under physiological conditions I'd ask why are you looking at DPPC?

Generally speaking physiological membranes are in the liquid crystal phase (although this is a vast simplification of the heterogeneous and specialised natures of different membranes) and this is one of the reasons why people would typically use 323 K for DPPC. If you wish to use 310 K I would chose another lipid (e.g. POPC).

Cheers

Tom
________________________________________
From: gromacs.org_gmx-users-bounces at maillist.sys.kth.se [gromacs.org_gmx-users-bounces at maillist.sys.kth.se] on behalf of kordzadeh at aut.ac.ir [kordzadeh at aut.ac.ir]
Sent: 05 January 2018 04:56
To: gromacs org gmx-users
Subject: [gmx-users] KALP in DPPC

Hi Dr.Lemkul

Thank you very much for your answer

I will select 310 kelvin becauase I want to investigate physiological condition.

in tutorial we've used semiisotropic pressure coupling and normal and lateral pressure are determined 1 bar.

why? is it related to surface tension?

if we want to surface tension be zero, should we set lateral pressure zero?

Thank you very much for your help

Regards

Azadeh

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