On Thursday 27 August 2009, Elad Binshtien wrote:
> Dear all,
> I run refmac5 on TLS & restrained refinement mode. my pdb input file contain
> anisotropic temp for the amino acid and isotropic temp for the cofactors and
> water. The refinement parameters is set on mixed isotropic/ anisotropic temp
> and in TLS parameters the check box add TLS contribution is marked.
But in your definition of TLS groups (the *.tls input file)
do you list the water residues as belonging to one of the TLS groups?
If so, don't do that.
Ethan
> In the pdb output the cofactor stay with isotropic temp BUT the water get
> anisotropic temp.
> How can i leave the water with the isotropic tepm
> (i work on win version)
>
> thanks Elad
>
>
>
> Elad Binshtein
> Ph.D student
> Department of Life Science
> Ben Gurion University of the Negev
> Ph: 972-8-6461325
>
