Grompp.cpp error when doing genion setup

User discussions
1

GROMACS version: 2020.1-Ubuntu-2020.1-1
GROMACS modification:No

Hello when I do a grompp command for an umbrella tutorial online I get this error. I double checked the .mdp file and all the steps should be ok. Is there a limitation with my computer?

Thanks in advance!

Program: gmx grompp, version 2020.1-Ubuntu-2020.1-1
Source file: src/gromacs/gmxpreprocess/grompp.cpp (line 2353)

Fatal error:
Too many warnings (1).
If you are sure all warnings are harmless, use the -maxwarn option.

For more information and tips for troubleshooting, please check the GROMACS
website at http://www.gromacs.org/Documentation/Errors

2

The actual warning is what is important, but you haven’t provided it. I’m assuming it’s the complaint from grompp that the GROMOS force fields are potentially problematic. If that’s what it is, use -maxwarn 1 to bypass it. If it’s something else, you’ll need to post the actual warning.

Note that my tutorials were explicitly written for version 2018, so you may find some differences (or problems, like this one) when using a different version.

1 Like