Hi dear David.
I appreciate your help a lot.
I will do that and I will inform the results.
Regards
El abr 13, 2015 6:25 AM, "David A Case" <case.biomaps.rutgers.edu> escribió:
> 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 - 07:00:03 PDT
