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