[gmx-users] using genion...

[David van der Spoel]

On Wed, 20 Mar 2002, Giorgos Karvounis wrote:

>Dear all,
>I am trying to insert a Na atom to the spc216 water model and run a
>simulation. I tried to use genion but im facing some problems with this
>command. I changed the .top by deleting one solvent molecule , inserting
>1 Na atom and #include "ions.itp".I am not quite sure though what do i
>have to change at the .gro or .pdb file. I would really appreciate if i
>could have some examples of the syntax of this command. I searched the
>archive and i found one more similar question about the use of genion
>but i couldnt trace the answer...
>...so once again any help is appreciated.
gro file is done by genion.
topology should be modifed as you specified.

It will be more automated later...

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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