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

David spoel at xray.bmc.uu.se
Sat May 31 08:10:01 CEST 2003

-----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

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.

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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