[gmx-developers] Force Fields

[Graham Smith]

It's great to have opls now (thanks, Erik!) but this gives me a guilty
pang about amber. How are we getting on with that? Have you had a
chance to look at your conversion scripts again Anton? I think that
all that was required was just to sort out the order in which some
parameters were being printed - we could surely live without automatic
generation of impropers for chiral centres. Sorry to be pathetic but I
don't know awk at all so I don't feel able to make even the relatively
small changes I think are required. Then I can have another go with
the terminal residues if you want.

-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 5737            	
email: graham.smith at cancer.org.uk	
URL: http://www.bmm.icnet.uk/~smithgr