[gmx-users] Values for pcon & ncon in G_mmpbsa

Amali Guruge amaligg2010 at gmail.com
Tue Jul 5 05:27:05 CEST 2016


Dear All,

In my MD simulation I only added counter ions (20 Na+ ions) to neutralize
the system. Now I want to do MM_PBSA calculations for my MD runs. In order
to do perform polar solvation energy, I have to define parameters pcon and
ncon.
According to my system what values should be assigned to those two
parameters? If I assign 0 (zero) value for both parameters, is it correct?

I don't have clear solution for this problem. Please can anyone help me?

Thank you in advance.


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