AMBER Archive (2001)

Subject: Re: lipid bilayer MD simulations

From: Anita Ilze Zvaigzne (aiz0001_at_unt.edu)
Date: Tue Mar 06 2001 - 18:45:45 CST

Dear Dr. Huber:

> After I changed the LJ parameters to the new CHARMM all-atom lipid force
> field, the simulations behaved well.
> I would strongly recommend to use the CHARMM forcefield parameters for
> lipids (you can switch some compile time options in the amber code to
> allow for the full CHARMM type forcefield, I can speak only for AMBER 4.1,
> I haven't got the later versions).
> It might be possible to combine the CHARMM/lipid and AMBER/protein
> forcefield, they are not too dissimilar. But there colud be always
> problems mixing different parametrizations.

Do you have any idea of why the two forcefields would be so different?
(Bear with me, I am new at this...)

Sincerely,
Anita Zvaigzne