QM/MM parameters for Al + trasferrin

Julen jule... at gmail.com
Mon Sep 29 12:38:38 CEST 2008


Hi everybody!

 I'm trying to do some QM/MM molecular dynamics simulation on
trasferrin and Aluminum atoms.



  Does anyone have (could anyone share with me ;) ) the MM parameters
for this kind of system?

  Or, otherwise, could someone advise me on how to get or create them?



  Thanks

       Julen


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