[gmx-users] Glycoproteion MD

Justin Lemkul jalemkul at vt.edu
Fri Aug 31 03:32:00 CEST 2012

On 8/30/12 9:26 PM, 陈应广 wrote:
> Dear all  I am interested in simulating a model of Glycoproteion. I could'nt
> find the define of the residue in any forcefield .rtp file of GMX. I am using
> Gromacs 4.5.5 . If any one can help me in getting forcefield parameters for
> charmm27/ OPLS/Amber99 in gromacs format please respond. Please suggest where
> else I should search for these.

If they haven't already been derived (and thus likely published), then you'll 
have to derive them yourself in a manner consistent with the original force field.




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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