[gmx-users] Basic question about command line

[Justin Lemkul]

On 4/13/20 10:03 PM, Mohammad Madani wrote:
> Dear all
> Hi,
> I have a basic question about the using the gromacs.
> I want to use gmx cluster for clustering. I use the cluster hpc.
> When I run the this command:
> gmx cluster -f *.trr -s *.gro -g *.log -clid *.xvg
> I receive the error that I should select the group for least rmsd.
> Could you please help me how can I add this part to the command line?
> Can I do this??

http://manual.gromacs.org/documentation/5.1/onlinehelp/selections.html
http://www.gromacs.org/Documentation/How-tos/Using_Commands_in_Scripts

-Justin

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Justin A. Lemkul, Ph.D.
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