[gmx-users] fix simulation box corners NVE

Sereda, Yuriy Vladimirovich ysereda at indiana.edu
Mon Jan 4 22:43:38 CET 2016


How to fix corners of the NVE or NVT Gromacs simulation box?

How to transform existing trajectory to comply with this?

How to set parameters of a new Gromacs simulation to make sure simulation box corners stay at fixed positions?

Thanks,

Yuri

IU Bloomington Chemistry


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