[gmx-users] Topology parameters

[Justin A. Lemkul]

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

========================================