[gmx-users] distance

[Anton Feenstra]

David van der Spoel wrote:
> 
> On Wed, 20 Mar 2002, Mehmet Suezen wrote:
> 
> >Atom News wrote:
> >>
> >> Dear All,
> >>
> >> I would like to calculate the distances between atom-atom of 2 water
> >> molecules and that of solvent-protein. My simulation box is a truncated
> >> octahedral with the periodic boundary conditions. Can anyone offer a code?
> >> Thank you.
> 
> try g_mindist, or g_traj, or g_dist

or g_hbond

-- 
Groetjes,

Anton
 ________ ___________________________________________________________
|        | Anton Feenstra                                            |
| .      | Dept. of Pharmacochemistry - Free University Amsterdam    |
| |----  | De Boelelaan 1083 - 1081 HV Amsterdam - The Netherlands   |
| |----  | Tel: +31 20 44 47608 - Fax: +31 20 44 47610               |
| ' __   | Feenstra at chem.vu.nl - http://www.chem.vu.nl/afdelingen/FAR|
|  /  \  |-----------------------------------------------------------|
| (    ) | Dept. of Biophysical Chemistry - University of Groningen  |
|  \__/  | Nijenborgh 4 - 9747 AG Groningen - The Netherlands        |
|   __   | Tel +31 50 363 4327 - Fax +31 50 363 4800                 |
|  /  \  | K.A.Feenstra at chem.rug.nl - http://md.chem.rug.nl/~anton   |
| (    ) |-----------------------------------------------------------|
|  \__/  | "Out Of Register Space (Ugh)" (Vi)                        |
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