[gmx-users] Potential energy problem

madhumita das madhumita.bioinfo at gmail.com
Wed Sep 14 09:29:42 CEST 2011


Hi Gromacs users,

I am doing the protein lipid system packing step and thus shrinking and
minimizing the system alternately but after first minimization rest of all
minimization steps show E pot=nan and no minimization step occurs in the
em.log file. How to get rid of this problem? Please help.


Yours faithfully,

Madhumita Das.
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