AMBER Archive (2008)

Subject: Re: AMBER: tip3p water and shake

From: David A. Case (case_at_scripps.edu)
Date: Thu Jun 19 2008 - 00:15:48 CDT

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

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