Error with Funnel Metadynamic

[ANTONIO LAUS]

Hi, I premise that I am using Gromacs 2023 patched with the latest version of PLUMED, I am following the masterclass on metadynamic funnel and when I launch the command I get the following error:
I cannot understand line: FUNNEL_PS LABEL=fps LIGAND=lig REFERENCE=start.pdb
ANCHOR=2472 POINTS=4.724,5.369,4.069,4.597,5.721,4.343
Maybe a missing space or a typo?

I can't figure out why, I installed the extensions and am using the tutorial files.
Thank you in advance for the help :)

[Gareth Tribello]

Hello 

When you configured plumed prior to compiling it did you use the configure command:

./configure --enable-modules=all

If you did not then the files in the funnel module may not have been built when you built the code.

I hope this helps

Gareth

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[ANTONIO LAUS]

Hello,

I should have already enabled Plumed a priori, I don't know if I did something wrong. Is it possible to do a check to check the enabled modules?

Thank you

Antonio

[Gareth Tribello]

If you run the command:

plumed manual --action=DISTANCE

I think it will output all the actions you a use.  Better still is if you replace distance with FUNNEL_PS in the above command. If that outputs nothing then you have not enabled the right modules when you complied plumed.

Good luck

Gareth

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[ANTONIO LAUS]

You are right, I must have done something wrong in the enablement. The extension should be there, is there any way to enable it?
Thank you very much for the help you are giving me!

Antonio

[Gareth Tribello]

Recompile PLUMED using the following steps:

./configure --enable-modules=all

make

make install

You can find more detailed instructions on building PLUMED here:

Good luck

Gareth

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[ANTONIO LAUS]

It works now, thank you very much for the advice!
 Good luck,

Antonio

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Antonio Laus, MSc

Fellow Researcher "Computer Aided Drug Design" 

Molecular Modelling & Drug Design Lab

Department of Life Sciences - University of Modena and Reggio Emilia

Via Giuseppe Campi 103