Arik Cohen wrote:
Hi,
Is there a way to tell the g_energy program the output option(i.e.
Potential, Temperature ....) in advance when you run the program.
Namely, I would like to know if there is a flag that I can give the
program and thus skip the part when the g_energy program asks for an
input for the Potential/Temperature... option(much like -ff for the
force field in the runmd program)
See
http://www.gromacs.org/Documentation/How-tos/Making_Commands_Non-Interactive
Mark
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