Hello,
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:
The atom type is set to amber; the options available to the -at flag are
gaff, gaff2, amber, bcc, and sybyl.
/home/dave/anaconda3/envs/kuano/bin/wrapped_progs/antechamber: Fatal Error!
Residue (CRO) has a type of LINKING.
The first part of this seems to be a warning as I get it with other
files that go on to be processed correctly. Could anyone suggest what is
going wrong here?
Cheers
Dave
--
Dave Wright
CTO & Co-Founder
kuano.ai
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Received on Wed Jun 23 2021 - 09:00:02 PDT
