Re: [AMBER] Implicit Solvent Equation

From: case <case.biomaps.rutgers.edu>
Date: Sun, 22 Aug 2010 08:58:17 -0400

On Fri, Aug 20, 2010, Hector Chang wrote:
>
> I want to calculate the value for the two terms added into the vacuum
> potential function.

You are going to need learn to examine the code to really learn the details.
I recommend doing this.

> I did the "rbornstat" input in AMBER

This should print out the effective Born radii. I don't know that there is
an existing option to print the surface area...you may have to modify the
code.

...dac


_______________________________________________
AMBER mailing list
AMBER.ambermd.org
http://lists.ambermd.org/mailman/listinfo/amber
Received on Sun Aug 22 2010 - 06:00:03 PDT
Custom Search