To be completely honest, I did not know about AMOEBA before receiving
this error message, so I could not have run something that specific.
Would it be reasonable to delete out the AMOEBA parts from the inpcrd file?
Thanks,
Daniel Smith
David A. Case wrote:
> On Mon, Jun 23, 2008, Daniel Smith wrote:
>
>
>> It does indeed have a VERSION box on it. I ran ANTECHAMBER to get the
>> partial charges and atom types. I then loaded in the Mol2 file into leap,
>> added a cation (Ca++) and did solvateoct. I attached my leap.log file in
>> case there is something in there that I missed.
>>
>
> Weird. As far as I can tell(?), LEaP does not contain any code that could
> make a "new-style" inpcrd file (with a VERSION card at the beginning). My
> only guess is to double-check that your inpcrd file was actually the one
> created by LEaP. Is there any chance that you could have run amoeba_parm
> at some point?
>
> ...dac
>
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Received on Sun Jun 29 2008 - 06:07:12 PDT
