[gmx-users] Membrane simulation - error during EM after inflation step

John K john.simulation at aim.com
Tue Feb 5 05:09:53 CET 2013

Hello Justin,

Thank you for providing a tutorial for membrane simulation.
I am doing membrane simulation by following your tutorial.
When I tried to do energy minimization after inflating the system i got the
following result.

Steepest Descents converged to machine precision in 15 steps,
but did not reach the requested Fmax < 1000.
Potential Energy  =  1.6157550e+17
Maximum force     =            inf on atom 2093
Norm of force     =            inf

So the system is not converged well. I checked the output .gro file the
protein came completely out of the bilayer.
I tried to fix the problem by increasing the -fc value to 1000000 but still
problem continues.
Will you please tell me what will be the reason behind this problem and how
to fix it.

Thank you

John K 

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