Dear all,
We are trying to create a custom monosaccharide unit using GLYCAM force field, but we are having a bit of trouble choosing the atom types to use.
To understand more about the atom types to use, we have tried creating a related unit in Glycam-web, but the unit created seems to use different atom types than the ones available in the force field. Specifically, in the GLYCAM_06j.dat file, all atoms have uppercase first letters and lowercase second letters, while the unit created by GLYCAM-Web has all uppercase letters.
Could anyone help us identifying the correct atom types in Glycam force field to use? (BTW, the unit we're trying to build is guluronic acid, as preset in alginate.)
Thank you,
Gustavo Seabra
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Received on Wed Feb 18 2015 - 11:00:03 PST
