Re: [AMBER] Lennard-Jones Parameters for Each Atom

From: Brian Radak <radak004.umn.edu>
Date: Fri, 5 Sep 2014 09:56:44 -0400

Use parmed.py and the "printDetails" command. This will give epsilon and
Rmin/2 for all atoms in the given mask.


On Fri, Sep 5, 2014 at 9:46 AM, Uday Midya <umidya.iitkgp.gmail.com> wrote:

> Hi All
> I require the numerical value of *epsilon* and *sigma *for each atom in my
> system. I find in amber topology file that their product is given in the
> *Aij* and *Bij* form for each pair of atom type. Can any one suggest me how
> to get the *sigma *and* epsilon*?
>
> Regards
> --
> Uday Sankar Midya
> IIT Kharagpur
> West Bengal
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>

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Received on Fri Sep 05 2014 - 07:00:02 PDT