On Fri, Sep 10, 2021, Priya Dey wrote:
>Initially, we were using amber 12 for 3D-RISM calculation using
>*rism3d.snglpnt.MPI command*.
>Then, we have updated the amber12 software to amber20. The output guv file
>format is .mrc not .guv. I am not able to open and analyse .mrc file.
>Please look into it.
The --volfmt determines the file format for output volumetric files. It can
be set to mrc, ccp4, dx or xyzv. See Section 7.6.1 of the Amber 2021 Reference
Manual, and Section 7.8 for a description of these file formats.
....dac
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Received on Fri Sep 10 2021 - 05:00:02 PDT
