Re: shake and belly

From: David A. Case <case_at_scripps.edu>
Date: Wed 22 Jan 2003 10:17:22 -0800

On Tue, Jan 21, 2003, GUILLERMINA L ESTIU wrote:
>
> when running a belly dynamics, shake works on the moving residues or on all
> the residues of the pdb file?

I believe that sander removes all bonds in the frozen section as a
preprocessing step. Hence, SHAKE doesn't "see" these, and does nothing
to them.

..dac 


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David A. Case                     |  e-mail:      case_at_scripps.edu
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Received on Wed Jan 22 2003 - 10:17:22 PST
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