[gmx-users] RNEMD in Gromacs

Neda Rafiee nerafiee at ipm.ir
Thu Feb 23 09:07:02 CET 2017

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Dear Gromacs users,
Anyone knows about Reverse Non-Equilibrium Molecular Dynamics (RNEMD) in Gromacs? I know it is available in LAMMPS, but my system and all my works till now have been done in Gromacs. Is it easier to shift to LAMMPS or can I write the RNEMD method in Gromacs? I need this method to calculate thermal conductivity.
Thanks in advance.
Neda

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