[gmx-users] Berger lipid

Shima Arasteh shima_arasteh2001 at yahoo.com
Fri Jun 29 02:23:13 CEST 2012

Yes, you told me this before CHARMM36 is better than CHARMM27. But I'm afraid of using  C36. Because I think it's a newer FF and and less studies have done by it. Then if I face a problem, I can't find a way through articles! 

Don't you think so?


----- Original Message -----
From: Justin A. Lemkul <jalemkul at vt.edu>
To: Shima Arasteh <shima_arasteh2001 at yahoo.com>; Discussion list for GROMACS users <gmx-users at gromacs.org>
Sent: Friday, June 29, 2012 4:46 AM
Subject: Re: [gmx-users] Berger lipid

On 6/28/12 8:15 PM, Shima Arasteh wrote:
> Hi all,
> I want to simulate a protein in POPC bilayer by CHARMM27 FF. I know phospholipids and protein are defined well in CHARMM27. Is Berger lipid required ?

No, these are different force fields entirely.  The CHARMM36 parameter set is 
better for lipids than CHARMM27.



Justin A. Lemkul, Ph.D.
Research Scientist
Department of Biochemistry
Virginia Tech
Blacksburg, VA
jalemkul[at]vt.edu | (540) 231-9080


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