AMBER Archive (1999)

Subject: more on RMS fits

From: samantha hughes (s.j.hughes_at_ic.ac.uk)
Date: Tue Oct 26 1999 - 08:26:31 CDT


Hello again,

Following up on my question earlier today, is it possible to do
any sensible RMS fits when the systems involved contain a
different number of atoms ?
Apart from the per-residue analysis - will CARNAL choose the
"same" atoms for a regular RMS fit if the atom numbering scheme
is not exactly the same ? Or will it choose atoms that have the
same atom number ?

Is the only recourse to strip the prmtop and mdcrd files of all
references to the differing residues ?

Any ideas would be appreciated.
Thanks
Samantha

-- 
Time's fun when you're having flies.
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