[gmx-users] MMPBSA

shahid nayeem msnayeem at gmail.com
Fri Jan 27 14:54:31 CET 2012

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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