On Sun, Apr 12, 2015, Carlos Romero wrote:
>
> Thanks a lot for your help. I tried to use default ions, but when i tried
> to save prmtop and inpcrd file, I got a message that said:
>
> For atom: .R<CO 405>.A<CO 1> Could not find vdW (or other) parameters for
> type: Co2+
For calcium, I guess you should copy the parameters in parm99.dat into your
frcmod file, and load that. You could also do a literature search to see what
parameters other are using. Maybe someone with calcium experience on the list
can respond.
[Pengfei: why are there "lsm" parameters for +1, +3 and +4 ions, but not +2?]
...dac
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Received on Mon Apr 13 2015 - 04:30:02 PDT
