optimizing subset in a supermolecule
- From: "Tarek M. El-Gogary"
<asmasomy=at=mans.edu.eg>
- Subject: optimizing subset in a supermolecule
- Date: Sat, 19 Jun 2004 14:09:44 +0300
Dear CCL-ers,
I want to perform a
geom. optz. calculation for a monomer in a trimer supermolecule
system maintaining the trimer starting structure (which is coming from
x-ray study). Could you tell me some hint about how to perform it? Any
suggestion will be helpful. Thank you in advance.
Best
regards,
tarek