Dear AmberLists,
I tried to parametrize a Glycopeptide using Gaussian for the charges
calculations and the prepin generation instructions.
I have got this warning:
Leap added 1 missing atom according to residues templates:
1 unknown element
And
The unperturbed charge of the unit (-1.000000) is not zero.
What should I check?
It is a n-acetyl glucosamine and a modified muramic acid
Best
Angelo Gallo
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Received on Mon Dec 16 2024 - 08:00:02 PST
