> I use ptraj to analyze my result, the rmsd goes up to more than
> 6,but when I load the same structure to the Pymol using the identical
> reference structure, the rmsd was only about 2, I am very confused about
> this problem.
We need more details; what was your ptraj script and how did you specify
the reference structure. Were both the ptraj and Pymol RMS fits by mass?
-- tec3
_______________________________________________
AMBER mailing list
AMBER.ambermd.org
http://lists.ambermd.org/mailman/listinfo/amber
Received on Fri Nov 13 2009 - 20:00:03 PST
