Problem with gromacs
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Entering edit mode
22 months ago
yoosefyud ▴ 40

Hello I am using GROMACS 2019.4 on the last version of ubunto. I am trying to fill my box with water solvent but i get the following error

> Program:     gmx solvate, version 2019.4 Source file:
> src/gromacs/commandline/cmdlineparser.cpp (line 276) Function:    void
> gmx::CommandLineParser::parse(int*, char**)
> 
> Error in user input: Invalid command-line options   In command-line
> option -cs
>Too many values

And my command is:

gmx solvate -cp box.gro -cs spc216.gro o-solv.gro -p topol.top

I will be so pleased that if anyone could help me to solve the problem.

GROMACS Linux • 571 views
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2
Entering edit mode
22 months ago
ATpoint 54k

Should it not be -o solv.gro instead of o-solv.gro? The typo prevents -o from being interpreted as an option and therefore the tool interprets o-solv.gro as second option of -cs which fits the error message (too many options).

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Thanks a lot it worked!

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