Dear Emilia,
> I want to use the tleap to load some small peptide which has some
> unnatural amino acid residues, like Bpa, Cha...., Does anybody has
> this kind of experience?
You need to develop a force field library for your new amino-acid.
You could follow what is available in R.E.DD.B.
See for instance
http://q4md-forcefieldtools.org/REDDB/projects/F-74/
& load the corresponding files in LEaP as demonstrate in
http://q4md-forcefieldtools.org/REDDB/projects/F-74/script1.ff
or F-73 up to F-80 (contain various examples of all united atom of
carbon united FF libraries).
Soon other projects will be available...
regards, Francois
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Received on Fri May 29 2009 - 01:11:58 PDT
