AMBER Archive (2006)

Subject: Re: AMBER: Compile AMBER 8

From: Esther Brugger (esther_brugger_at_yahoo.com)
Date: Mon Oct 30 2006 - 12:14:05 CST


I think it's big, 270 atoms......I am just thinking maybe I can cut it into smaller residue.....
esther B.
HL Eastwood <s0237717_at_sms.ed.ac.uk> wrote: Hi Esther

How big are your residues? Are they optimised? If they're not too big I
might be able to set them running here, computational resources
permitting...

If you don't already have partial charges for your atoms then you have
no choice but to use some manner of quantum mechanics software...

best

hayden

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