AMBER Archive (2005)

Subject: AMBER: Amber 8: heterogeneous multiple copy LES method

From: Angela Liu (angela_ambermail_at_yahoo.com)
Date: Wed Jul 13 2005 - 13:47:08 CDT

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!

Angela

__________________________________________________
Do You Yahoo!?
Tired of spam? Yahoo! Mail has the best spam protection around
http://mail.yahoo.com
-----------------------------------------------------------------------
The AMBER Mail Reflector
To post, send mail to amber_at_scripps.edu
To unsubscribe, send "unsubscribe amber" to majordomo_at_scripps.edu