Hi,
What method are you using? There are already parameters for
calcium for AM1 and PM3 in divcon. You should be able to use
these parameters and make sure that your QM charge is correct if
it contains this ion.
Seth
On Tue Jun 19 10:23:04 EDT 2007, clarkzhy
<clarkzhy.mail.bnu.edu.cn> wrote:
> Hello, everyone!
>
> Recently, I need to use QM/MM method in Amber9 to deal with some
> protein system with metal. But, there are some missing parameters
> in the program, such as Ca2+ ions. Does angone could help me? Mr.
> David A. Case, would you please tell me how to add the papameter
> to the program-divcon?
>
>
>
> clarkzhy
> 2007-06-19
>
-----------------------------------------------------------------------
The AMBER Mail Reflector
To post, send mail to amber.scripps.edu
To unsubscribe, send "unsubscribe amber" to majordomo.scripps.edu
Received on Wed Jun 20 2007 - 06:07:37 PDT
