AMBER: Amber 8: heterogeneous multiple copy LES method

From: Angela Liu <>
Date: Wed, 13 Jul 2005 11:47:08 -0700 (PDT)

Dear Amber users,

The LES program in Amber 8 can do homogeneous multiple
copy (i.e. same chemical fomula but with different
conformation). Let's say I want to create a peptide
chain in which one residue is a heterogeneous multiple
copy of several different amino acids. For example,
one residue can be 50% phenylalanine and 50%
tryptophan (both are aromatic). Similar or different
multiple copies can exist for different residues.
What do I need to change to create a proper topology
file for such multiple copies?

Thank you very much for your insight and help!


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Received on Wed Jul 13 2005 - 19:53:00 PDT
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