[gmx-users] Problem with genion

David van der Spoel spoel at xray.bmc.uu.se
Thu Mar 21 15:43:59 CET 2002

On Thu, 21 Mar 2002, Olesya Ivanova wrote:

>Dear All ! 
>I tried to use genion to add some Na and Cl atom to the spc216 solvent,
>but quite a strange error occured:
Please be more specific. I just tried the following on  a water box:
genion -s topol.tpr -np 4 -nn 5
and that adds 4 Na+ and 5 Cl- to my box.

Please give exact command line you are using.

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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