[gmx-users] free energy binding

Daniele Veclani danieleveclani at gmail.com
Thu Jun 4 14:41:09 CEST 2015


Dear A. Lemkul

I'm writing about the problem with the calculation of  free energy binding.

I used 20 steps for the calculation of the free energy, only three of these
steps (7,12,19) I find this error. And in these steps simulation terminates
prematurely.

Best regards


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