[gmx-users] calculation of msd of water molecule

Soham Sarkar soham9038 at gmail.com
Thu Jun 20 08:25:30 CEST 2019

    I want calculate the msd of water molecule which is within 0.4nm of the
protein molecule for a 200ns trajectory. Could anyone please help me and
provide the workflow. gmx msd is giving the msd of water molecules of the
whole box.

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