On Tue, Nov 23, 2021, Chris Lee wrote:
>However, when I run my job script I get the "unknown flag: filename.parm7"
>error.
Can you copy and paste the exact "job script" you are using? Check for
a multiline command that is missing a "\" at the end of some line. This
probably has nothing to do with CHARMM, or the prmtop file. It's mostly
likely a formatting error on the command line. Read your script
carefully, especially around the "filename.parm7" part. Experiment with
changing things around (e.g. the order of the arguments) to see if you can
spot what the problem is.
....good luck...dac
_______________________________________________
AMBER mailing list
AMBER.ambermd.org
http://lists.ambermd.org/mailman/listinfo/amber
Received on Mon Nov 22 2021 - 19:30:03 PST
