[gmx-users] Constraints for md simulations of carbohydrates

Neha Bharat Gajaria n.gandhiau at gmail.com
Sun Jan 3 13:14:16 CET 2010

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,

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