I would like to perform an energy minimization of
an irregular RNA molecule.
I already have a PDB file with the coordinates.
How is the easiest way to create an irregular RNA
molecule (with leap ?) and to use the coordinates
in the PDB file as starting coordinates ?
What does 'irregular' mean? If the residues are all standard:
> x = loadpdb your.pdb
> saveamerparm x x.top x.crd
for vacuum setup.
Maybe there is an example presented on a web-site
elsewhere ?
http://amber.ch.ic.ac.uk
See the tutorials.
Bill Ross
Received on Wed Jul 21 1999 - 11:15:06 PDT
