Can I use CHARMM-GUI to get the formyl parameters for CHARMM36 and CHARMM27?
Cheers,
Shima
________________________________
From: Justin A. Lemkul <jalem...@vt.edu>
To: Shima Arasteh <shima_arasteh2...@yahoo.com>; Discussion list for GROMACS
users <gmx-users@gromacs.org>
Sent: Saturday, May 5, 2012 5:58 PM
Subject: Re: [gmx-users] Topology parameters
On 5/5/12 9:21 AM, Shima Arasteh wrote:
> Dear gmx users,
>
> I need to define a new residue topology ( Formyl ) in CHARMM27 force field. I
> have the formyl parameters for GROMOS. I'd like to know if the residue
> parameters are the same in different force fields?
>
Almost certainly not. Each force field has different parameterization
procedures and makes use of different atom types. A new force field requires a
new topology.
-Justin
-- ========================================
Justin A. Lemkul
Ph.D. Candidate
ICTAS Doctoral Scholar
MILES-IGERT Trainee
Department of Biochemistry
Virginia Tech
Blacksburg, VA
jalemkul[at]vt.edu | (540) 231-9080
http://www.bevanlab.biochem.vt.edu/Pages/Personal/justin
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