Dear Amber community,
I was just wondering how one would go about interpretation of PBCAL values (in MMPBSA computations) for receptor and complex. PBCAL for my receptor has a more negative value than PBCAL for the complex. Does this mean that the complex experiences a lower dielectric lattice due to some water molecules replaced by the ligand in the binding site?
best regards,
jenk.
---------------------------------
Yahoo! Messenger with Voice. Make PC-to-Phone Calls to the US (and 30+ countries) for 2¢/min or less.
-----------------------------------------------------------------------
The AMBER Mail Reflector
To post, send mail to amber.scripps.edu
To unsubscribe, send "unsubscribe amber" to majordomo.scripps.edu
Received on Wed Oct 18 2006 - 06:07:20 PDT
