Dear Amber Users,
I am trying to calculate absolute free energy for the nucleotide molecule using MM_PBSA script of AMBER8. The system has some K+ ions in the active site. I wish to calculate the absolute free energy in presence of these ions.
Shall I include the radius in "mm_pbsa_calceneent.pm" file or any other file? If yes please let me know the accurate value of radius for K+ ion.
Shall I recompile the AMBER after addition of these values?
Any reply is of great help for me.
saurabh
---------------------------------
Why delete messages? Unlimited storage is just a click away.
-----------------------------------------------------------------------
The AMBER Mail Reflector
To post, send mail to amber.scripps.edu
To unsubscribe, send "unsubscribe amber" to majordomo.scripps.edu
Received on Sun Dec 23 2007 - 06:07:31 PST
