AMBER: QM/MM

From: Taufik Al-Sarraj <taufik.alsarraj.utoronto.ca>
Date: Wed, 11 Jun 2008 11:09:24 -0500

Hi,
This is a general question. I was approached by a colleague about
running a QM or QM/MM calculation. The calculation involves structure
optimization only. The molecule consists of 90 atoms (C, H, N and 2 Cu)

can AMBER9 do this? is there a tutorial that i can start with?

Many thanks,
Taufik


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Received on Sun Jun 15 2008 - 06:07:13 PDT
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