[gmx-users] Fwd: -pbc nojump

leila karami karami.leila1 at gmail.com
Wed Oct 27 10:05:18 CEST 2010


Hi Carsten



Thanks for your answer. You got my case very well.



I understand your mean as follows:

1)      Trjconv –f a.xtc –s a.tpr –o b.xtc –pbc mol  (output group=water)

2)      Trjconv –f a.xtc –s a.tpr –o c.xtc –pbc nojump (output group
=protein-dna)

Is that true?


You said, (Then overlay both results in the visualization program). How?
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