[gmx-users] Topology parameters

Justin A. Lemkul jalemkul at vt.edu
Sat May 5 15:28:09 CEST 2012

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 A. Lemkul
Ph.D. Candidate
ICTAS Doctoral Scholar
Department of Biochemistry
Virginia Tech
Blacksburg, VA
jalemkul[at]vt.edu | (540) 231-9080


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