31 Mar
2000
31 Mar
'00
4:16 p.m.
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