From: Ilya Chorny (ichorny_at_gmail.com)
Date: Wed Nov 14 2007 - 08:37:49 CST
The OPLS_AA forcefield has been ported to NAMD, just not the lipid forcefield.
Ilya
On Nov 14, 2007 12:36 AM, Himanshu Khandelia <hkhandel_at_memphys.sdu.dk> wrote:
> Although it has been done for lipid-bilayer simulations in GROMACS, mixing
> and matching of force fields is generally a bad idea, no ?
>
>
> ----------------------------
> Himanshu Khandelia, PhD (Chemical Engineering),
> Research Assistant Professor (Postdoc),
> MEMPHYS, Center for BioMembrane Physics: www.memphys.sdu.dk
> University of Southern Denmark (SDU)
> Campusvej 55, Odense M 5230, Denmark
> Phone: +45 6550 3510, +45 2398 7972
> Fax: +45 6550 4048
> email: hkhandel_at_memphys.sdu.dk,
> hkhandelia_at_gmail.com
> WWW: www.memphys.sdu.dk/~hkhandel
> -----------------------------
>
>
>
>
> On Tue, 13 Nov 2007, Ilya Chorny wrote:
>
> > Anybody convert the OPLS united atom Lipid topology/potential to NAMD?
> > I am considering doing that. I will use the OPLS charges with the
> > Charmm dihedrals. Anyone see any problems with that approach. Also, I
> > noticed that that in the Charmm topology the angles are not explicitly
> > defined. Why is that?
> >
> > Thanks,
> >
> > Ilya
> >
> > --
> > Ilya Chorny Ph.D.
> >
> >
>
-- Ilya Chorny Ph.D.
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