[gmx-developers] genvsites

[Anton Feenstra]

Hi all,


Just a short note from the guy who caused all this to be in in the first 
place. It's good to see some of it at least is still considered useful, 
and thanks for carrying this forward! (P.S., the paper is my top-cited 
and is still going strong; I guess I should thank you for that as well.)

I agree completely with Erik (L) on the horror of the aromatics vsites 
(dummies as I called them for lack of inspiration; I regretted that 
already minutes after submitting the paper ;-). I thought about making 
them more versatile and ff-compliant, but shied away from the additional 
coding that would have taken.

Also, I must agree with Erik that they may be virtually (sic) useless, 
but then again we may want to make sure of that. That was for me the 
reason to put them in in the first place. So, I think it would be a 
shame if they disappeared without a second thought or chance...


-- 
Groetjes,

Anton
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|  _   _  ___,| K. Anton Feenstra                                     |
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