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From: Matthieu Chavent (matthieu.chavent_at_edam.uhp-nancy.fr)
Date: Fri May 30 2008 - 04:12:31 CDT
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Hello All,
I have a problem: I created a water box around a protein complex to
perform MD simulations. During the MD a protein moved out the water box
and was placed at the opposite side of the water box (thank to periodic
conditions). I would like to save the trajectory in a pdb file, but when
I use save coordinates the positions of the two proteins are saved at
each side of the water box and I can't analyze the results (calculate
RMSD, residues in contact, etc..). I think that It is possible to move
one of the two protein to reconstruct the complex.. But I don't know how..
Could you help me please...
Thank you in advance!
Matthieu Chavent (PhD student)
- Next message: L. Michel Espinoza-Fonseca: "Re: preriodic box problem"
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