Subject: Re: rigid body minimization

From: A J Turner <[email-masked]>
Date: Wed, 31 Jan 1996 16:26:08 +0000 (GMT)

Hi!

I think I might have the answer - but it'll mean you breaking out a 
sweat.

First put in extra bonds within your bodies.  Bond everything to 
everything else. If you have problems joining residues this way - they 
will each have to be joind to the next using three non parrallel bonds.

Now use the Powell, SD or CONG (I strong recommend POWELL) to minimse 
having put a SAKE BONDS in there.

Now - if your system does still not move enough - I guess you're going 
to have to bite the bullet and do a quenched dynamics run - probably 
preceeded by a heating and equilibration.

Tell me if any of this sound reasonable!!

Good luck

Alex

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