On Wed, Jun 11, 2008, Khaled Barakat wrote:
>
> I am trying to use Antechamber to create a prepin file for a zinc ion
> coordinated with 3 cysteine residues and 1 histedine.
Antechamber doesn't know about metals: you need to prepare files for those by
hand. Look for papers on simulations of zinc enzymes: some will provide
details of the force fields they used.
...dac
-----------------------------------------------------------------------
The AMBER Mail Reflector
To post, send mail to amber.scripps.edu
To unsubscribe, send "unsubscribe amber" (in the *body* of the email)
to majordomo.scripps.edu
Received on Sun Jun 15 2008 - 06:07:35 PDT