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Receiver for IMD v2 and v3 data from simulation engines like Gromacs, LAMMPS, and NAMD

copied from cf-staging / imdclient

Installers

  • noarch v0.1.4

conda install

To install this package run one of the following:
conda install conda-forge::imdclient

Description

IMD (Interactive Molecular Dynamics) is a protocol for communicating molecular simulation data through a socket. It allows for two-way communication via IMD, a simulation engine sends data to a receiver and the receiver can send forces and certain requests back to the simulation engine. Version numbers in IMD are monotonically increasing integers. IMDv3, the protocol version described in this document, builds upon IMDv2, which is implemented at the time of writing in NAMD, VMD, GROMACS, and LAMMPS. IMDv2 is itself a modification of the original IMD protocol published in 2001.


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