[gmx-users] MMPBSA

Mark Abraham Mark.Abraham at anu.edu.au
Fri Jan 27 15:31:13 CET 2012

On 28/01/2012 12:54 AM, shahid nayeem wrote:
> Dear All
>  I have done MMPBSA calculation on some complexes. It calculates 
> energy in terms of polar contribution to solvation as PBSUR and 
> nonpolar contribution to solvation as PBCAL and sum of these two terms 
> as PBSOL. It appears to me that PBSOL is the desolvaion component of 
> binding free energy but I am not sure. If  it is desolvation then why 
> polar and nonpolar contribution to solvation is written. Please help me.
> Shahid Nayeem

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