AMBER Archive (2006)

Subject: AMBER: about Br- parameters

From: JAVIER PEREZ (javier.perez_at_uab.es)
Date: Fri Mar 03 2006 - 04:18:23 CST

Hi amber users,
 
I am looking for the unit for the Br- ion. Where could I find a prep file
for this type of ion or a library which contains that ion?
 
Br- is an anion very used in Chemistry. However, the library I have in LEaP
is very short and it doesn't contain bromide. So, it should be included in
AMBER Force Field parameters.
 
Any suggestion will be very welcome.
 
Thanks in advance,
 
Javier Perez
 
 
******************************
Javier Perez
 
Teaching assistant
 
Chemistry Department
Universitat Autonoma de Barcelona
08193 Bellaterra (Barcelona)

e-mail: javier.perez_at_uab.es
 
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