Subject: AIMPAC

From: "E. Lewars" <[email-masked]>
Date: Fri, 6 Oct 1995 14:09:33 -0400

Re geyying AIMPAS:
Contact research group of Prof Richard Bader
	[email-masked]
OR	[email-masked]
OR	[email-masked]

Errol Lewars
====

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From: A J Turner <[email-masked]>
Date: Fri, 6 Oct 1995 20:31:05 +0100 (BST)

Hi all.

I must thank you all for the help that you have supplied so far. 

I have a very strange one for you now. I have a quenched dynamics run 
going on Charmm 22.2, using 15A TIP3 sphere to dissolve methyl-
glycoside.

I used ABNR to minimise to tolgrd 0.001 and then used a fairly standard 
quenched dynamics run.  The snag is that after 300 steps then program 
says that some of the atoms have undefined co-ordinates.

Has anyone every come across this before.

Can anyone help.

Thanks in advance

Alex

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