Erik Zuiderweg
Gelrestraat 17b
6585XW Mook, Nederland
(+31)611154835
> On 11 Apr 2022, at 19:28, David A Case <david.case.rutgers.edu> wrote:
>
> 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 - 16:00:04 PDT
