On Wed, Mar 30, 2011, Ben Roberts wrote:
>
> [gtkleap]$ saveAmoebaParm mol prmtop inpcrd
> saveAmoebaParm mol prmtop inpcrd
> get typeid of -1
> Error (get_iptr): while retrieving parameter typeid, impossible abs ID (-1)
Note that amoeba (as implemented in Amber) is not a general force field.
I think it only works for proteins with standard residues. I suspect(!)
that this message is just a way of saying it doesn't have parameter types
for the atoms in your system. Do you think it should be able to recognize
everything?
...dac
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Received on Wed Mar 30 2011 - 19:00:02 PDT
