[gmx-users] Constraints for md simulations of carbohydrates

[Neha Bharat Gajaria]

Dear List,

I want to study the ring puckering of carbohydrates. Is it recommended to
use hydrogen-bond constraints or i simply put none in constraints section in
the md.mdp file?

Many thanks,

Regards,
Neha Gandhi Gajaria,
School of Biomedical Sciences,
Curtin University of Technology,
GPO Box U1987 Perth,
Western Australia 6845
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