Periodic cell basis too small for GridForce

From: Carla Gómez Santiago (bscgs_at_leeds.ac.uk)
Date: Sun May 27 2018 - 09:29:30 CDT

Hello everyone,

Im new in MDFFs. Right now Im simulating a membrane receptor with extra constraints on the backbone of the receptor.

During the equilibration, i get the following error message: FATAL ERROR: Warning: Periodic cell basis too small for Gridforce grid 0. Set gridforcechecksize off in configuration file to ignore.

I tried increasing the Periodic cell basis in the previous .restart.xsc file and in the step5_assembly.namd.str however as the simulation moves on the shape of the box changes. Will that alter my results? I dont know what to do. Should I make changes in the Pressure?

Any help highly appreciate

Cheers,

Carla

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