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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