[gmx-users] geometric center

[Anton Feenstra]

David van der Spoel wrote:
> On Tue, 2003-09-02 at 16:26, Dastmalchi wrote:
> 
>>Dear All,
>> 
>>How can I calculate the geometric center for part of a protein
>>structure. I have crated index.ndx file for the interested residues,
>>but don't know what is the command to calculate the geometric center
>>for these residues.
>> 
>>Many thanks for your help in advance.
> 
> use editconf -center 0 0 0 -n

g_com and g_traj should also be helpful...


-- 
Groetjes,

Anton
  _____________ _______________________________________________________
|             |                                                       |
|  _   _  ___,| K. Anton Feenstra                                     |
| / \ / \'| | | Dept. of Pharmacochem. - Vrije Universiteit Amsterdam |
|(   |   )| | | De Boelelaan 1083 - 1081 HV Amsterdam - Netherlands   |
| \_/ \_/ | | | Tel: +31 20 44 47608 - Fax: +31 20 44 47610           |
|             | Feenstra at chem.vu.nl - www.chem.vu.nl/~feenstra/       |
|             | "If You See Me Getting High, Knock Me Down"           |
|             | (Red Hot Chili Peppers)                               |
|_____________|_______________________________________________________|