[gmx-users] how to add potassium
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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