Dear Amber Community,
I need to generate a four column file for an analysis script where the columns are x_coord, y_coord, z_coord, and charge. Right now, I’m writing pqr files with cpptraj and collecting the needed information in a second step with a bash script. I’m wondering if there is a more efficient way to do this, either within cpptraj or otherwise?
Best,
Matthew
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Received on Wed Aug 18 2021 - 10:30:02 PDT
