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normal error in gromacs

  • yaser
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9 years 7 months ago #4073 by yaser
error in gromacs was created by yaser
hi guys when im use this command in gromacs i get this error how can i fix it:

solvate -cp 1AKI_newbox.gro -cs spc216.gro -o 1AKI_solv.gro -p topol.top
solvate: command not found

and i have get some other error when i use gmx command :

gmx solvate -cp 1AKI_newbox.gro -cs spc216.gro -o 1AKI_solv.gro -p topol.top
No command 'gmx' found, did you mean:
Command 'ngmx' from package 'gromacs' (universe)
Command 'gm' from package 'graphicsmagick' (universe)
Command 'gcx' from package 'gcx' (universe)
Command 'gmt' from package 'libgenome-perl' (universe)
gmx: command not found

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9 years 7 months ago - 9 years 7 months ago #4074 by Clement
Replied by Clement on topic error in gromacs
This question has absolutely nothing to do with Martini; please use the right channels (the GROMACS mailing-list would be a start, but for this Google would have been sufficient).

Anyhow, it seems you haven't any GROMACS installed, or your machine doesn't know where to find the executables; source the GMXRC file you'll find in the bin directory. Something like source /usr/share/gromacs-4.6.6/bin/GMXRC should do the trick.

You're welcome.
Last edit: 9 years 7 months ago by Clement.

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