[gmx-users] Re: AMBER (parm96) force field & hydrogen/termini database

Graham Smith smithgr at cancer.org.uk
Thu May 2 20:11:33 CEST 2002


There's already a charmm-format version of amber 94 which seems to have
translated the special N and C terminal / 3' 5' end residues into patch
residues, if that's any use to anyone -
http://master2.lobos.nih.gov/~cheatham/software.html. 

There were a couple of other people who might be working on this 
as well weren't there - I remember a message from Patrick Ladam (March 02) 

I don't mind helping if you want some drudge work, eg making hdbs for the
nucleotides. 

-Graham 

########################################################################

Dr. Graham R. Smith, 		       Department of Biological Sciences,  
Biomolecular Modelling Laboratory,     Biochemistry Building,              	
Cancer Research UK, 		       Imperial College of Science,        	
44 Lincoln's Inn Fields, 	        Technology & Medicine,             	
London WC2A 3PX,		       London SW7 2AZ,                     	
U.K. 				       U.K.                                	
Tel: +44-(0)20 7269 3348 	       Tel: +44-(0)20 7594 5734            	
email: graham.smith at cancer.org.uk	
URL: http://www.bmm.icnet.uk/~smithgr














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