[gmx-users] Gromax NDG/BGLC Force field Error
McDonnell, Thomas
thomas.mcdonnell.11 at ucl.ac.uk
Tue Mar 17 17:57:16 CET 2020
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?
Thanks
Thomas.
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