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Multiple heteroatoms



Hi there,

I am trying to model a protein containing 2 copper atoms.
I took the advice you gave Michel Giorgi (5-2-99) and
pretended that copper is zinc. But the models I receive only
have one zinc atom, not two. I tried several changes in the
command syntax (/z*) to get the second copper/zinc modelled,
e.g.  /zz*  or  / z-z*,  but any change results in the error:

forrtl: severe (61): format/variable-type mismatch, unit 6, file stdout.

I did not find anything about it in the manual. Can anyone tell me
how to model the second zinc/copper atom into the structure ?

Are there updated libraries available, where copper is parametrized ?

Thanks for your help,


Thorsten Schweikardt
Molekulare Biophysik
Universitat Mainz
Germany