[gmx-users] Glycoproteion MD

[Leandro Bortot]

Hi Guang,

You can use the GLYCAM force field, which has parameters for carbohydrates
and glycoproteins compatible with AMBER99.

You can get the AMBER topology and structure files directly from their web
interface, the "Online Glycoprotein Builder" (
http://glycam.ccrc.uga.edu/ccrc/gp/ <http://glycam.ccrc.uga.edu/ccrc/>),
and them convert it to .top and .gro with the acpype script. I've done it
sometimes.

I hope it is helpful for you.

best regards,
Leandro



2012/8/30 陈应广 <525342307 at qq.com>

> 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.
>
>  Thanking all
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