On Sun, Apr 10, 2022, Erik Zuiderweg wrote:
>sander -O -i mdin \
>-p ../2qmt.parm7 -c ../2QMT_MIN.rst -ref 2QMT_MIN.rst -o 2QMT_MIN_MD1.out
^^^^^^^^^^^^^^^^
Looks like you are not specifying the correct reference coordinate file.
But I don't understand where your error messages are going. If I try a run
with ntr=1 and a bad input for -ref, I get the following message on both
the mdout file and on stderr (the terminal):
Error opening unit 10: File "ralt15_uc.rst7" is missing or unreadable
Can you send me the complete mdout file?
....dac
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Received on Mon Apr 11 2022 - 10:30:02 PDT
