Hi,
There is no distance cutoff - 'closest X <mask>' modifies the state so
that only the X closest solvent molecules to atoms in <mask> are kept.
If you want to keep solvent within a certain distance from solute see
the 'watershell' command in the ptraj section of the ambertools
manual.
-Dan
On Wed, Mar 16, 2011 at 6:07 AM, Sangita Kachhap <sangita.imtech.res.in> wrote:
>
> Hello al
>
> I have query regarding ptraj closest command, I want to know distance cutoff of
> closest command.
>
>
> With regard
>
> Sangita Kachhap
> JRF
> BIC,IMTECH
> CHANDIGARH
>
>
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>
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Received on Wed Mar 16 2011 - 06:00:05 PDT
