[gmx-users] [Fwd: A bug in gromacs]

[David]

-----Forwarded Message-----

From: Ing. Vojtěch Spiwok <Vojtech.Spiwok at vscht.cz>
To: spoel at xray.bmc.uu.se
Subject: A bug in gromacs
Date: 30 May 2003 17:24:47 +0200

Hi
in ffgmx2.rtp there is a bond between CB and
C instead of CA and C in residue GLUH. I'm not
able to protonate GLU in all-atom gromacs FF
anyway. The only succesful way was creation
of a new residue GLW instead of GLUH.

Cheers
Vojtech Spiwok
ICT Prague
-- 
Groeten, David.
________________________________________________________________________
Dr. David van der Spoel, 	Dept. of Cell and Molecular Biology
Husargatan 3, Box 596,  	75124 Uppsala, Sweden
phone:	46 18 471 4205		fax: 46 18 511 755
spoel at xray.bmc.uu.se	spoel at gromacs.org   http://xray.bmc.uu.se/~spoel
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