[gmx-users] Gromax NDG/BGLC Force field Error

[Justin Lemkul]

On 3/17/20 12:57 PM, McDonnell, Thomas wrote:
> Hey
>
> I am trying to do some MD of a glycoprotein, I've inputted the glycans through Charm-GUI online, but when I try to run simulations using any of the amber or charm forcefields, it throws up the error does not recognise NDG. My glycan pattern is:
>
> N-Acetylglucosamine, N-Acetylglucosamine, Mannose (branch) (Mannose, N Acetylglucosamine, Galactose ) x2
>
> How do I modify the input files to overcome this, or is there a different forcefield I should be using?

What is NDG? There is no such residue or patch in the CHARMM force field 
so I don't know why CHARMM-GUI produced any file with such a residue name.

-Justin

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Justin A. Lemkul, Ph.D.
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