Re: [AMBER] how to calculate scattering trajectory

From: Bill Ross <ross.cgl.ucsf.EDU>
Date: Sun, 20 Mar 2011 14:06:52 -0700

> My system is an isolated water sphere of diameter 6nm plus a isolated
> cis-pinonic acid (a kind of dicarboxylic acid). The initial distance
> between the cis-pinonic acid and the center of the water sphere is 20 nm.
> I want to give the cis-pinonic acid an initial velocity towards the
> center of the water sphere.

I have never heard of Amber having the ability to assign a specified
initial velocity to a component of the system. I think you may have to
modify the code if you want this behavior.


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Received on Sun Mar 20 2011 - 14:30:02 PDT
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