Re: how to add Zn Ca parameters

From: Eva Darian <>
Date: Thu 25 Oct 2001 14:29:50 -0700 (PDT)

> Because I am only interested in the non-bonded
> interactions for the ion Zn and Ca , the only
> parameters I need to add to the force field are th
> r, epsilon and charge. Does someone tell me how to
> that?

There are parameters for Zn and Ca in parm99.dat

> ...and then "loadamberparams", after that the zinc
> and Ca were still not recognized while loading the
> pdb file.

To get those atoms to be recognized by leap, you need
to modify ions94.lib file which is in ../Leap/lib/

Good luck

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Received on Thu Oct 25 2001 - 14:29:50 PDT
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