Dear David
I am using the thermodynamic integration method to calculate free energy, but I do not know how to turn off the van der waals interaction, and I do not how to introduce the "dummy" atoms.I would be most happy if you can tell me, I am looking forward to hearing from you. thank you very much.
liliduan
-----------------------------------------------------------------------
The AMBER Mail Reflector
To post, send mail to amber.scripps.edu
To unsubscribe, send "unsubscribe amber" to majordomo.scripps.edu
Received on Wed Jul 11 2007 - 06:07:40 PDT
