[gmx-users] trajectory manipulation on individual groups or cut & paste ?

[Marc Baaden]

>>> David said:
 >> [..] So could we have applied nojump just to the protein
 >> > (which probably just deserves a quick hack to trjconv using index groups
 >> > as you pointed out) we could have done it with the standard trjconv in
 >> > one go.
 >> how about trjconv -pbc cluster

That didn't do it because the molecule is of an elongated shape and is in fact
too long so that com-based clustering doesn't work for that specific system :(

Marc

-- 
 BioMolSim meeting 2&3 Sep 2005: http://www.iecb.u-bordeaux.fr/satellite2005/

 Dr. Marc Baaden  - Institut de Biologie Physico-Chimique, Paris
 mailto:baaden at smplinux.de      -      http://www.baaden.ibpc.fr
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