AMBER Archive (2005)

Subject: AMBER: gaff.dat typo

From: Brent Krueger (kruegerb_at_hope.edu)
Date: Wed Jun 01 2005 - 20:35:58 CDT

I believe there is a typo in the gaff.dat file (in the AMBER8 tree).
Lines 335 and 336 are:

cd-cd 418.3 1.429 SOURCE1 740 0.0058 0.0069
cd-cd 504.0 1.371 SOURCE3 523 same as cc-cd

Perhaps the second line should be cd-cc?

Sorry if this is old news, I applied the patch-all file quite a few
months ago, but haven't checked carefully for things since.

Cheers,
Brent

__________________________________________________________________
Brent P. Krueger phone: 616 395 7629
Assistant Professor fax: 616 395 7118
Hope College
Department of Chemistry
Holland, MI 49423

-----------------------------------------------------------------------
The AMBER Mail Reflector
To post, send mail to amber_at_scripps.edu
To unsubscribe, send "unsubscribe amber" to majordomo_at_scripps.edu