[AMBER] rmsd as order parameter in umbrella sampling

From: Srinivasaraghavan Kannan <ragav.journals.googlemail.com>
Date: Mon, 7 Dec 2015 11:09:46 +0800

Dear

Can anyone tell me how to use /ΔD/_/rmsd / as order parameter(reaction
coordinate) in umbrella sampling to compute PMF. There are publications
(J. Phys. Chem. B, 2014, 118 (1), pp 134–143)(J. Am. Chem. Soc. 2005,
127, 6866– 6876) using this with amber package, but i don't know which
module to apply.

Thanks.

Ragav





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Received on Sun Dec 06 2015 - 19:30:03 PST