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.
*Priya Dey*
*Research Scholar*
*c/o Prof. Parbati Biswas*
*Department of Chemistry *
*University of Delhi*
*Delhi,110007*
*India*
*Contact Number-8010903736*
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Received on Fri Sep 10 2021 - 00:30:02 PDT
