AMBER Archive (2003)

Subject: AMBER: MD simulation: enzyme and its substrate

From: Do Anh Tuan (datuan_at_hcmuns.edu.vn)
Date: Wed Oct 29 2003 - 13:52:24 CST

Dear Amber users,
I am a new Amber user. My protein for MD simulation is a hydrolytic enzyme.
MD simulation with only enzyme is so good. However, I would like to know
what happen to the enzyme and its substrate (a polysaccharide) in active
site. But I don't know how to run a MD simulation for enzyme and its
substrate.
I should be grateful if somebody could give me some advices or guide me to
prepare something for MD simulation?
Thanks you in advance,

DA Tuan

CBL - UNS, HCMC, Vietnam

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