From: flavio seixas (oivalf_nix_at_yahoo.com)
Date: Wed Sep 28 2011 - 17:32:27 CDT
Hi
Use nedit software. It is a column editor. You may select the column of 0.00 values and using the replace tabe of the editor, change them to 1.00
regards
flavio
--- On Wed, 9/28/11, Haydee Valdes <hvaldesg10_at_gmail.com> wrote:
> From: Haydee Valdes <hvaldesg10_at_gmail.com>
> Subject: namd-l: restraining residues in NAMD
> To: namd-l_at_ks.uiuc.edu
> Date: Wednesday, September 28, 2011, 4:59 PM
> Good afternoon,
> my problem is very simple. I have a pdb file containing a
> solvated protein.
>
> I would like to fix the atoms/residues of the protein and
> simply
> adjust the waters around it.
> I havenīt found an easy way to do that in NAMD though.
>
> Is there a way to specify the following: fix from
> atom/residue X to
> atom/residue Y and move everything else?
>
> Thnx
>
> hyd
>
>
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