[gmx-users] distance

David van der Spoel spoel at xray.bmc.uu.se
Wed Mar 20 20:04:21 CET 2002


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
> 
>> John.
>
>
>http://www.gromacs.org
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Groeten, David.
________________________________________________________________________
Dr. David van der Spoel, 	Biomedical center, Dept. of Biochemistry
Husargatan 3, Box 576,  	75123 Uppsala, Sweden
phone:	46 18 471 4205		fax: 46 18 511 755
spoel at xray.bmc.uu.se	spoel at gromacs.org   http://zorn.bmc.uu.se/~spoel
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