[gmx-users] Overflow problem with test-particle insertion

Kevin Daly kdaly at princeton.edu
Thu Sep 9 03:16:46 CEST 2010

Hello Gromacs users,

I sent a message to the list in June describing what appeared to be a float
overflow issue with the energy calculation for test-particle insertions:

I have recently tried the test-particle insertion mode in Gromacs-4.5.1, and
it seems the problem is still there. Does anyone know how to work around or
fix this problem without using tabulated potentials?

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