Marcela,
if you are interested in all-atom lipid bilayer simulations, at least for
amber 4.1, it was possible to select some undocumented source in
prep/link/edit/parm/sander, that allows for the full CHARMM forcefield.
I don't know how this feature is supported in later varsions of amber.
But be aware, that the 'philosophy' for parametrization of amber and
charmm forcefield parms is different. This might create problems when
combining, e.g. amber nucleic acid or peptide with charmm lipids.
Thomas
-----------------------------------------------------------------------------
Dr.Thomas Huber University of Arizona
Tel.: (520) 621-2537 Department of Chemistry
FAX: (520) 621-8407 1306 E. University Blvd.
email thuber_at_physik.tu-muenchen.de Tucson, Arizona 85721-0041
On Mon, 30 Jul 2001, jim caldwell wrote:
>
>
> ---------- Forwarded message ----------
> Date: Mon, 30 Jul 2001 11:08:39 -0400
> From: Marcela Madrid <mmadrid_at_psc.edu>
> To: amber_at_heimdal.compchem.ucsf.edu
> Subject: simulating membranes with AMBER
>
> Hi,
> does AMBER have parameters to simulate lipid membranes, or
> can they be adapted from CHARMM?
> thanks, Marcela
>
>
Received on Tue Jul 31 2001 - 11:54:38 PDT
