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posted on May 05, 2022 by Gourav

GROMACS version: 2021.4 (mpi version) GROMACS modification: Yes/No Here post your question I want to perform SMD in gromacs, but as I have a large number of systems, it is not possible to perform umbrella sampling for each of these systems. Hence, I want to use Plumed for performing this SMD. How can I implement plumed into gromacs? Also I want to know what is basic difference be

 

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