Is it possible to use Drude force field in gromacs-plumed?

User discussions
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1

Dear Gromacs users,

Is it possible to use Drude force field in gromacs-plumed?

Thanks for any possible help in advance.

Xu

2

Our Drude implementation is not suitable for production-level simulations, it is to be considered beta due to a number of modifications of the code. I have done no testing at all with PLUMED so do not attempt to use it. OpenMM works fine, I suggest you use that for now.

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Thanks for your prompt reply! I’ll try to use OpenMM to carry out my work.