Dear amber communityIn
http://amber.scripps.edu/tutorial/shirts/index.html
http://amber.scripps.edu/tutorials/advanced/tutorial6/index.htm ,I can not find how to turn off the van der waals interaction, can you tell me ? thank you very much. liliduan
ÔÚ2007-07-10£¬"David A. Case" <case.scripps.edu> дµÀ£º
On Tue, Jul 10, 2007, pig5678 wrote: > 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. Please see these tutorials: http://amber.scripps.edu/tutorial/shirts/index.html http://amber.scripps.edu/tutorials/advanced/tutorial6/index.htm ...dac ----------------------------------------------------------------------- The AMBER Mail Reflector To post, send mail to amber.scripps.edu To unsubscribe, send "unsubscribe amber" to majordomo.scripps.edu
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Received on Sun Jul 15 2007 - 06:07:32 PDT
