[gmx-users] GROMACS Scripting to write .xvg files

Subhamoy Mahajan subhamoy at ualberta.ca
Wed Sep 28 23:59:58 CEST 2016

How do I pass an argument to "gmx energy -f em.edr -o potential.xvg". When
we run it normally we are prompted to enter a number denoting the Potential
Energy, but how do I pass that number when I am writing a shell script.

Thank You,

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