AW: cell origin problem

From: Norman Geist (
Date: Wed Sep 25 2013 - 00:44:46 CDT

Nothing to worry about and no need to rerun the simulation.


Norman Geist.


Von: [] Im Auftrag
von Haleh Abdizadeh
Gesendet: Dienstag, 24. September 2013 16:53
Betreff: namd-l: cell origin problem


Dear all,

I have made a mistake in entering cell origin coordinates in restart conf
file. When I play the movie of trajectories I do not see any problem in my
protein but I am not sure if my results are correct or not. I know cell
origin is not the center of mass of the protein but center of the water box
so could anyone tell me if it is necessary for me to start the whole
simulation again?

Best wishes,


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