[gmx-users] multiple "define" statements...

Ken Rotondi ksr at chemistry.umass.edu
Fri May 6 19:37:06 CEST 2005

in the .mdp file. Is this allowable? E.g.

define	= DFELXIBLE
define	= DPOSRE

if I wanted to do a minimization of SPC water while restraining the 
protein atoms to their .pdb coordinates.



K.S. Rotondi Ph.D.
Research Fellow
The Gierasch Laboratory
Department of Biochemistry and Molecular Biology
University of Massachusetts-Amherst
Phone: 413-545-1250
Fax;      413-545-3291

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