Hi:
I am puzzling over a variable command. It is a step function that oscillates between two values. It prints out great in the thermo command. When I use it in a velocity command I get the following error.
First. Here is the script:
You can only use this kind of syntax:
velocity all scale v_temp_wav
if the specific command (velocity in this case)
documents that it allows for a variable (atom-style in this case)
to be used. Only a few commands allow it. Velocity
currently does not (see the doc page). Thus it would
have to be added (coded) as an option.
Steve
How exactly are you using this script? Do you toggle the step function with a variable you set, then do a run for those initial velocities?
If so, it might be sufficient to force the variable to be evaluated to a number by using ${temp_wave} instead of v_temp_wave.