[gmx-users] bounded water molecules

[David van der Spoel]

On Tue, 2005-02-08 at 15:19 +0100, Raghunadha Reddy Burri wrote:
> Dear GMX users,
> 
> How can I possible to calculate number of water molecules in first hydration 
> shell OR number of bound water molecules and can I possible to separate my 
> protein with bounded water molecules after simulation, please give me any 
> information.
> 
> Thank you very much for your time and consideration.
try fist running trjorder and then trjconv
> 
> Burri
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-- 
David.
________________________________________________________________________
David van der Spoel, PhD, Assoc. Prof., Molecular Biophysics group,
Dept. of Cell and Molecular Biology, Uppsala University.
Husargatan 3, Box 596,          75124 Uppsala, Sweden
phone:  46 18 471 4205          fax: 46 18 511 755
spoel at xray.bmc.uu.se    spoel at gromacs.org   http://xray.bmc.uu.se/~spoel
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-- 
David.
________________________________________________________________________
David van der Spoel, PhD, Assoc. Prof., Molecular Biophysics group,
Dept. of Cell and Molecular Biology, Uppsala University.
Husargatan 3, Box 596,          75124 Uppsala, Sweden
phone:  46 18 471 4205          fax: 46 18 511 755
spoel at xray.bmc.uu.se    spoel at gromacs.org   http://xray.bmc.uu.se/~spoel
++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++