On Tue, Oct 04, 2011, Neha Gandhi wrote:
>
> I am now trying to follow tutorial on amoeba force field as mentioned on
> http://bessie.che.uc.edu/wiki/AMOEBA.
>
> I m using AMBER11.
sleap is a part of AmberTools: which version of that are you using?
> I m attaching my protein file. The steps i followed is
>
> >sleap
> >source leaprc.amoeba
> This loads
>
> < loadoff amoeba_amino.off
> < loadoff amoeba_aminont.off
> < loadoff amoeba_aminoct.off
> < loadoff amoeba_watbox.off
> < loadamoebaparams amoebapro.prm
>
> >loadoff sys.off -> this is for chloride ion
> m1=loadpdb phf6amber.pdb
>
> When I try to save parameters, it gives error: cannot find atom 75 in
> molecule.
It works for me, not giving any errors. I guess we need more details from you
....dac
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Received on Tue Oct 04 2011 - 09:30:03 PDT
