The problem is that genion is expecting input from the command line, telling it
which molecules to replace with ions - usually SOL.
If you are running a script you have to script an input line for genion.
Warren Gallin
On 2013-04-27, at 2:56 PM, Nathan Bullock wrote:
> The useful part of the
On Sat, Apr 27, 2013 at 10:25 PM, Nathan Bullock wrote:
> I created a text file called choices with the number corresponding to the
> ions group. I then had the text file as an argument for the genion
> function.
>
That cannot work. Read the link Justin provided.
Mark
> I still got the same i
On 4/27/13 2:52 PM, Nathan Bullock wrote:
So I need to provide a group for the function genion, in the example you
provided g-energy has several group names. Where do I find the group names
for genion?
Group selection is the same for every Gromacs program. Select by name or
number. Run ge
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