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

James Starlight jmsstarlight at gmail.com
Fri Feb 17 09:49:35 CET 2012

By the way I also wounder to know how I could keep my system after

E.g I've equilibrated CCl4+water system and obtain stabile system on
desired timescale.

Than I've used genbox to merge my pre-oriented peptide with the
pre-equilibrated system.

genbox -cp peptide_newbox.gro -cs CCl4_water_box.gro -o peptide_in_box.gro

As the consequence I've obtained system with peptide inserted in CCl4 but
without water layer.

Is there any way to preserve water layer during Genbox peptide insertion?

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