[gmx-users] trajectory manipulation on individual groups or cut & paste ?
baaden at smplinux.de
Thu Aug 4 13:57:06 CEST 2005
>>> 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 :(
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
FAX: +33 15841 5026 - Tel: +33 15841 5176 ou +33 609 843217
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