[gmx-developers] Force Fields

feenstra feenstra at chem.vu.nl
Tue Jun 18 10:27:32 CEST 2002

On Friday, June 14, 2002, at 09:35 PM, Graham Smith wrote:
> 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.

No, sorry. Smack out of time at the moment, and after reading Erik L.'s
reply, I think I'd rather wait to hear back from Stanford before I do
more work on it.



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