Dear lammps-users,
I want to perform metadynamics simulations of Cu/Cu(001) with reaxff ( in order to have an idea how to set CVs, work with output, etc).
I have already run the examples, and they ran without error. But with my input files for Cu/Cu(001) I became the following error message:
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colvars: Non-dynamic feature : "lower boundary" in colvar one may not be enabled as a dependency.
colvars: ...required by "grid" in colvar one
colvars: Error: Failed dependency in colvar one.
ERROR on proc 0: Fatal error in the collective variables module.
(../colvarproxy_lammps.cpp:315)
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I set to CVs : distance in X-axis and coordination number, I searched for the error message, but didn't find something (probably didn't get it)
I attached the input files.
hoping you could help me!
many thanks in advance,
diffusion.colvars (553 Bytes)
diffusion.data (2.24 KB)
in.diffusion (794 Bytes)