AMBER Archive (2007)

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

From: David A. Case (case_at_scripps.edu)
Date: Tue Jul 10 2007 - 10:14:45 CDT

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_at_scripps.edu
To unsubscribe, send "unsubscribe amber" to majordomo_at_scripps.edu