> Speaking of rdparm, I don't quite understand the Lennard-Jones output which
> looks like this:
>
> Lennard-Jones
> Types A C
> c1 c1 819971.66 531.10
> c1 o 574393.46 555.67
> c1 OW 696790.71 564.50
> c1 HW 0.00 0.00
> OW OW 581935.56 594.83
> H OW HW 0.00 0.00
> HW HW 0.00 0.00
Following up on the information already posted to the reflector, you may
want to use the "printtypes" command of rdparm to get the more familiar
(interpretable) r*, epsilon values...
--tec3
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Received on Wed Mar 03 2010 - 12:00:07 PST
