AMBER Archive (2001)

Subject: Re: how to add Zn Ca parameters

From: Eva Darian (e_dar13_at_yahoo.com)
Date: Thu Oct 25 2001 - 16:29:50 CDT

> 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
do
> 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/
directory.

Good luck
Eva.

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