Hi,
On Fri, May 27, 2011 at 3:13 AM, Sangita Kachhap <sangita.imtech.res.in> wrote:
> Is there any limitation for stripping total number of molecules?
As far as I know there isn't any limitation on what can be stripped.
Are you certain you have the residue numbers correct? When you have a
long mask expression it can be a bit confusing. Try writing the mask
expression in such a way that you're only specifying the residue
numbers of the waters you want to keep, e.g.
strip :WAT&!(:115,476,2772)
This translates to "strip all residues named WAT except residues115,
476 and 2772".
> Is there renumbring of position of water moleclue in processed mdcrd file after
> striping of them?
Yes, after stripping all atoms/residues are renumbered so that they
are consecutive. Let me know if you are still having issues.
-Dan
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Received on Mon May 30 2011 - 06:00:03 PDT
