Warning in Raspa simulation #54
Description
I am currently running an adsorption isotherm simulation for N2 in CuBTC.
I end up getting this warning in the output.
My previous simulations have been alright. I am not able to figure out this warning, aslo the Iraspa community
WARNING: THERE ARE ATOM-PAIRS WITH NO VDW INTERACTION N_n2-N_com N_n2-Cu1 N_n2-O1 N_n2-C1 N_n2-C2 N_n2-C3 N_n2-H1 N_com-N_n2 N_com-Cu1 N_com-O1 N_com-C1 N_com-C2 N_com-C3 N_com-H1 Cu1-N_n2 Cu1-N_com Cu1-O1 Cu1-C1 Cu1-C2 Cu1-C3 Cu1-H1 O1-N_n2 O1-N_com O1-Cu1 O1-C1 O1-C2 O1-C3 O1-H1 C1-N_n2 C1-N_com C1-Cu1 C1-O1 C1-C2 C1-C3 C1-H1 C2-N_n2 C2-N_com C2-Cu1 C2-O1 C2-C1 C2-C3 C2-H1 C3-N_n2 C3-N_com C3-Cu1 C3-O1 C3-C1 C3-C2 C3-H1 H1-N_n2 (maximum 50 interactions shown)
WARNING: ENERGY DRIFT (INTERNAL CONSISTENCY ERROR IN THE CODE), THE SIMULATION RESULTS ARE WRONG!! isn't loading.