[AMBER] Cannot minimize structure with sander

From: George Yacu <gyacu.nd.edu>
Date: Fri, 18 Dec 2020 11:56:28 -0600


I am trying to run minimization with sander per the instructions in Tutorial 5.1 (Simple Simulation of Alanine Dipeptide). The command outputs the three files (min.out, min.ncrst, and min.mdinfo), but when I inspect the results section of min.out, it appears that the following error occurred:

NetCDF error: Permission denied
write_nc_restart(): Could not open restart

Do you have any recommendations to debug this issue?

George Yacu
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Received on Fri Dec 18 2020 - 10:00:02 PST
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