AMBER Archive (2006)

Subject: AMBER: Can I run RED/RESP for Platinum Complexes?

From: a a (patd_2_at_hotmail.com)
Date: Thu Aug 24 2006 - 04:50:42 CDT

Dear Sir/Madam,

I could like to calculate the RESP for a Platinum complex, so that I can
input this information to amber for further calculation. I have done the
optimization with Gaussian already.

However, I found RESP can only be done for atoms with Z<35, does it mean
that I cannot use RED/RESP to calculate the charge for a Platinum complex,
if yes, could you mind to teach me what is the best way of doing this?

Many thanks in advanced!

Annie

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