AMBER Archive (2005)

Subject: Re: AMBER: Protein ions?

From: David A. Case (case_at_scripps.edu)
Date: Thu Jun 02 2005 - 10:25:07 CDT


On Thu, Jun 02, 2005, Anthony Cruz wrote:

> I try to make a simulation of a protein that have 2 calcium and 1 sodium. But
> leap don't recognize this atoms. I search the parm99.dat and the sodium and
> the calcium is included. How I could change my pdb for leap to recognize it?

How about giving us information about what you tried, and what the result was?
Just saying "Leap doesn't recognize the atoms" is way too vague to allow
anyone to be of much help.

...regards...dac

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