useconstantarea

From: Francesco Pietra (chiendarret_at_gmail.com)
Date: Mon Dec 28 2009 - 03:35:48 CST

>From the recent all-atoms mem tutorial "Simulation of membrane
bilayers have shown that the current CHARMM forcefield
parameters do no reproduce the experimentally observed area per lipid
over long MD trajectories........ after good packing has been
observed, one should keep the area in the xy-plane constant"

Is it known whether this applies also to CG simulations? Over short
simulations (500ns) I am not finding any significant difference
between

useconstantarea yes

useflexiblecell yes

or both "no"

thanks
francesco pietra

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