AMBER: Parameters for deuterium

From: Charlie Laughton <charles.laughton.nottingham.ac.uk>
Date: Tue, 06 Jan 2004 15:17:46 +0000

Dear All,

I'd appreciate any thoughts/experiences on simulations incorporating
deuterium (C-D or O-D bonds). Is it enough just to take corresponding H
parameters and up the mass?

Apologies if there is something on the Amber web site about this - I
couldn't find it though.

Cheers,

Charlie 
-- 
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Dr Charlie Laughton                   |
Reader in Molecular Recognition       | Phone: (+44) 115 951 3405
School of Pharmaceutical Sciences     | Fax:   (+44) 115 951 3412
University of Nottingham              | Email:
Nottingham NG7 2RD                    |
charles.laughton.nottingham.ac.uk
UK                                    |
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Received on Wed Jan 14 2004 - 15:53:14 PST
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