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openmm / openmm-plumed

OpenMM plugin to interface with PLUMED
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Tutorial #49

Open raimis opened 3 years ago

raimis commented 3 years ago

Make a tutorial how to use OpenMM-PLUMED with a complete example. So the mistakes like in #48 are avoided.

TienMPhan commented 3 years ago

Hi Raimondas, Do you have a worked example for how to use the openmm-plumed plugin? I searched for it but didn't see any. The instructions in the readme file are not very clear.

Thanks, Tien

raimis commented 3 years ago

No, I don't have.

sukritsingh commented 2 years ago

Hi all, I've started using this plugin recently and have a working version up and running that works as intended relevant files. I'm happy to submit a PR with the script if someone can point me to where we'd like example scripts to live? I wasn't sure if there's a good existing directory of if I should add a separate directory

raimis commented 2 years ago

@sukritsingh feel free to create a new directory. Something like tutorials should be good.

peastman commented 2 years ago

Or examples if it's more of an example than a tutorial.