look at the Amber web site under "file formats". it explains this file and
what the numbers are.
On 3/9/07, Chengwen Chen <chenchengwen.gmail.com> wrote:
> Dear Amber users,
>
> I would like to get the van der Waals parameters and 6-12 potential
> parameters of NB in parm99.dat. But I can't find these parameter after "MOD4
> RE". And there are some atom type including NB is listed before "MOD4 RE".
> What does that mean? How can I get the parameter I wanted?
>
> Thank you very much
>
>
>
> from parm99.dat
>
> N NA N2 N* NC NB NT NY
> C* CA CB CC CD CK CM CN CQ CR CV CW CY CZ
>
> MOD4 RE
> H 0.6000 0.0157 !Ferguson base pair geom.
> HO 0.0000 0.0000 OPLS Jorgensen,
> JACS,110,(1988),1657
> HS 0.6000 0.0157 W. Cornell CH3SH --> CH3OH FEP
> HC 1.4870 0.0157 OPLS
>
>
> Best Wishes,
>
> Chen Chengwen
>
>
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Received on Sun Mar 11 2007 - 06:07:23 PDT
