Re: AMBER: tip3p water and shake

From: David A. Case <case.scripps.edu>
Date: Wed, 18 Jun 2008 22:15:48 -0700

On Wed, Jun 18, 2008, Wang,Ying wrote:

> Hi, thanks a lot! But I cannot find "spcfw" record in amber 9
> manual. could you tell me more information about it? Thanks!

Check out section 2.10 in the AmberTools manual. But please be sure that you
really need a flexible water model: if you have any doubt, you almost
certainly want to stick with a rigid model, which is what would be used in
more than 95% of biomolecular simulations.

...dac

-----------------------------------------------------------------------
The AMBER Mail Reflector
To post, send mail to amber.scripps.edu
To unsubscribe, send "unsubscribe amber" (in the *body* of the email)
      to majordomo.scripps.edu
Received on Sun Jun 22 2008 - 06:07:24 PDT
Custom Search