[gmx-users] genion

David spoel at xray.bmc.uu.se
Thu Jun 27 12:49:43 CEST 2002

On Thu, 2002-06-27 at 12:37, Dmitry Kovalsky wrote:
lect a group: 15
> Fatal error: The solvent group is not continuous: index[3]=9381, index[4]=9364
> -----------------
> What  does this mean? 
That your 7 water molecules do not have continuous numbers. This is
probably a requirement due to some simplisitc algorithm (most likely
written by me). You have to renumber your molecules (i.e. put those 7
all at the end of the water in the gro file and remake your index file.

Groeten, David.
Dr. David van der Spoel, 	Biomedical center, Dept. of Biochemistry
Husargatan 3, Box 576,  	75123 Uppsala, Sweden
phone:	46 18 471 4205		fax: 46 18 511 755
spoel at xray.bmc.uu.se	spoel at gromacs.org   http://zorn.bmc.uu.se/~spoel

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