[gmx-users] g_cluster -nofit

[Anton Feenstra]

Hi,


I want to fit on a one group and calculate rms for another group in
g_cluster. The way to do this is, first fit with trjconv, then run
g_cluster -nofit on the 'fitted' trajectory. However, in my output
to clusters.pdb the fitting groups are not all on top of each other.
I checked with 'trjconv -f fit.xtc -o fit.pdb -dt 100' and the fitted
trajectory is in fact fitted. Any idea's here?


-- 
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/       |
|             | "The World is a Friendly Place" (Magnapop)            |
|_____________|_______________________________________________________|