From: grazia cottone (cottone_at_fisica.unipa.it)
Date: Wed Oct 20 2010 - 06:43:23 CDT
Hi All,
I am looking for the parameter and topology files for some ligands,
agonist and antagonist
for nicotinic receptors I want to simulate with NAMD: acetylcholine,
nicotine, lobeline.
I see that acetylcholine (and nicotinamide..) are available in the
CHARMM top/par files, but still I miss lobeline:
http://en.wikipedia.org/wiki/Lobeline
Does anyone has an idea where can I find them, or from where I can build
them?
Thanks a lot in advance,
Grazia
--
Grazia Cottone
School of Physics
College of Engineering, Mathematics and Physical Sciences
University College of Dublin
phone +353-1-716 1945
+353-1-716-1794
email grazia.cottone_at_ucd.ie
Dipartimento di Scienze Fisiche ed Astronomiche
Università di Palermo
phone +39-091 6234262
fax +39-091 6162461
email cottone_at_fisica.unipa.it
grazia.cottone_at_unipa.it
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