On Sat, Nov 21, 2020, Bruno Cramer wrote:
>
>Running: /home/bcramer/amber20_src/bin/sqm -O -i sqm.in -o sqm.out
>sh: 1: /home/bcramer/amber20_src/bin/sqm: not found
This is the wrong path, and may be related to the problem setting
AMBERHOME mentioned in an earlier post. If you are using the run_cmake
script without changes, your AMBERHOME variable will be
/home/bcramer/amber20. To set this, and other needed enivronment
variables, you need to "source /home/bcramer/amber20/amber.sh" after the
make install script. Generally, people put this into their ~/.bashrc
script so that it is done each time you log in.
I'm not sure why you were able to run antechamber itself. You might
check the output of "which antechamber".
....good luck....dac
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Received on Sat Nov 21 2020 - 06:00:02 PST
