[gmx-users] Fwd: -pbc nojump
ckutzne at gwdg.de
Wed Oct 27 10:34:42 CEST 2010
On Oct 27, 2010, at 10:05 AM, leila karami wrote:
> 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?
Yes, I would try it that way.
> You said, (Then overlay both results in the visualization program). How?
In pymol for example, just load both PDBs.
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