[gmx-users] -pbc nojump

mohammad agha mra_bu at yahoo.com
Wed Dec 28 17:25:05 CET 2011


Dear GROMACS users,

I have a problem 
about trjconv -pbc nojump, I have 2 micelles in the end of my simulation. 
For analysis I should do three steps for micelle clustering at
http://www.gromacs.org/Documentation/How-tos/Micelle_Clustering?highlight=micelle+clustering 
Steps 1 and 2 work good and when I view my trajectory after step2 by :
ngmx -f a_cluster.gro -s a_cluster.tpr
is viewed 2 micelles, but when I did step 3 (trjconv -nojump) and after do : ngmx -f a_cluster.xtc -s a_cluster.tpr
has been created 1 micelle and reminder of monomers have been collected as some groups at different places.
May I ask you to help me, please?
Thank you

Best Regards
Sara
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