AMBER Archive (2006)

Subject: AMBER: Umbrella sampling

From: Atsutoshi Okabe (okabe_at_cherry.bio.titech.ac.jp)
Date: Sat Jun 10 2006 - 05:42:34 CDT


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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