Thanks for the quick response.
Just removed "LINKING" from the _chem_comp.type field and antechamber
proceeded without error :)
On Wed, 23 Jun 2021 at 16:57, David A Case <david.case.rutgers.edu> wrote:
> On Wed, Jun 23, 2021, David Wright wrote:
> >
> >I am trying to run through the tutorial for Simulating the Green
> >Fluorescent Protein from http://ambermd.org/tutorials/basic/tutorial5/
> >
> >I am using Ambertools 21 installed via conda.
> >
> >When I get to section 2 and run the command (using the CRO.cif file
> >downloaded from the tutorial page):
> >
> >$ antechamber -fi ccif -i CRO.cif -bk CRO -fo ac -o cro.ac -c bcc -at
> amber
> >
> >I get the following error:
> >
> >/home/dave/anaconda3/envs/kuano/bin/wrapped_progs/antechamber: Fatal
> Error!
> >Residue (CRO) has a type of LINKING.
>
> Looks like the tutorial has become out of date. See what happens in you
> edit the CRO.cif file and remove the "LINKING" flag.
>
> I think this flag was not being checked back when the tutorial was
> originally made. If you(we) are lucky, things may still work.
>
> ...thanks for the report....dac
>
>
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Received on Thu Jun 24 2021 - 03:30:03 PDT
