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Looks like the tutorial has become out of date.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originally made.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 Wed Jun 23 2021 - 09:00:03 PDT
