AMBER Archive (2006)

Subject: Re: AMBER: Compile AMBER 8

From: HL Eastwood (s0237717_at_sms.ed.ac.uk)
Date: Mon Oct 30 2006 - 11:37:22 CST


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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