Since Insight relabels and reorders the atoms to conform to
its interpretation of V2.0 of the PDB format specs whether
you want it to or not, I tend to avoid mixing amber and
insight for anything unless I am forced.
Leap should be able to read Insight pdb's ok, and it might
even be able to translate an ambpdb file into something
that Insight would read properly:
> x = loadpdb ambpdb.pdb
> savepdb x insight.pdb
Leap can rearrange the molecules, tho if the prmtop was generated
by leap, this may be unlikely.
Bill Ross
Received on Tue Apr 17 2001 - 08:42:26 PDT
