[gmx-users] cavity size of active site

[David van der Spoel]

On Sun, 2005-08-28 at 22:43 -0700, chandran karunakaran wrote:
> Dear GMX users,
> 
>   Is there any option for calculating the
> cavities size of the active site using
> Gromacs?  Thanks in advance
No, in most cases it is an ill defined problem 

check e.g.
http://www.ccl.net/cca/software/UNIX/pass/overview.shtml
> 
> Dr.C.Karunakaran
> 
> 
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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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