[gmx-users] how to add potassium

Weingarth, M.H. M.H.Weingarth at uu.nl
Mon Feb 13 14:38:06 CET 2012

Thank you very much.

I managed meanwhile to run the simulation with K+ by adding

<<<K+   19      0.000      0.000     A  1.638e-05  1.184e-06>>>

to my ffnonbonded.itp

I took c6  and c12 parameters (I  use gromos 53a6) from Table I of
Effect of Force Field Parameters on Sodium and Potassium Ion Binding to Dipalmitoyl Phosphatidylcholine Bilayers '

As far as I understand, it is sufficient to add this (and only this line) line, right ?

Thank you very much again.

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