Fwd: [gmx-users] Npt equilibration of the membrane-mimicking CCl4 layer

James Starlight jmsstarlight at gmail.com
Fri Feb 17 07:33:07 CET 2012


The pure Ccl4 cube was expanded in X dimension during npt phase. By the way
I've been able to prevent it by increasing the ref_p of X up to 5 ussing
semiisotropic pcoupltype

By when I've inserted peptide on the npt of that system my Ccl4 box was
expanded on Z rapidly.

Might  this way to increase ref_p be usefull ?

I want to obtain very tightly packet Ccl4 layer with high density
(~1500kg/m^3) to mimick membrane acyl-chain hydrophobic layer

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