src/gromacs/gmxana/gmx_msd.cpp · 0a5e6f6507127c8091dafee35533c1b6c5303d94 · GROMACS / GROMACS

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Fix gmx msd when using COM removal and molecules · 0a5e6f65

Paul Bauer authored Jan 03, 2018 and

Mark Abraham committed Jan 04, 2018

Changed order of code to actually assign correct coordinates before
copying the data, and modified data structure size when using COM
removal and individual molecules.

Fixes #2043

Change-Id: Ic16f05a589609a43f14fd75753ca8589cf3d8c42

0a5e6f65

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