[gmx-users] system is exploding
olga.ivchenko at gmail.com
Fri Nov 26 11:26:28 CET 2010
Dear gromacs users,
I am trying to run simulations for small molecules in water. Topology files
I created by my self for charm ff. When I am trying to start energy
minimization I got an error:
Tolerance (Fmax) = 1.00000e+00
Number of steps = 1000
That's means my system is exploding. Please can you advice me on this, what
I need to check.
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