VMD-L Mailing List

From: Roman Petrenko (rpetrenko_at_gmail.com)
Date: Sat Jul 26 2008 - 23:31:36 CDT

I have two identical molecules (described by the same psf file), but
with different coordinates. Each molecule has some inner bond CA-CB,
the question is how to align molecule2 with molecule1, so that the
specified bond in both molecules have EXACTLY the same coordinates.

I tried fit - method and it didn't work.

So far i've managed only to bring two CA atoms from each molecule to
the same spot.

Thanks. 

-- 
Roman Petrenko.
Physics Department
University of Cincinnati