Re:Re: AMBER: ????pig5678??????

From: pig5678 <pig5678.163.com>
Date: Fri, 13 Jul 2007 09:36:10 +0800 (CST)

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
   
2007-07-10"David A. Case" <case.scripps.edu> д
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
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