[gmx-users] KALP in DPPC

Piggot T. T.Piggot at soton.ac.uk
Fri Jan 5 11:33:58 CET 2018

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).


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



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