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://www.rosswalker.co.uk/adsense_alternatives/
-----------------------------------------------------------------------
The AMBER Mail Reflector
To post, send mail to amber.scripps.edu
To unsubscribe, send "unsubscribe amber" to majordomo.scripps.edu
Received on Wed Jul 13 2005 - 19:53:00 PDT
