AMBER: Umbrella sampling

From: Atsutoshi Okabe <okabe.cherry.bio.titech.ac.jp>
Date: Sat, 10 Jun 2006 19:42:34 +0900

Dear all,

 

I want to do umbrella sampling MD between two small molecules in water.

And I want to fix this two molecule on one axis (eg, fix their centers of
mass on y=0, z=0)

How can I fix this two molecule on one axis with Amber program?

I expect to give me any suggestions.

 

Thank you

Acci



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Received on Sun Jun 11 2006 - 06:07:20 PDT
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