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iRASPA / RASPA2

Classical molecular simulation code
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Creating molecules for more systems than the maximum allowed: 1 #55

Open zhangshd opened 7 months ago

zhangshd commented 7 months ago

Dear developers,

I often find the following error message when I use RASPA 2.0.48: Creating molecules for more systems than the maximum allowed: 1

There was no other information, so it's hard to locate the where is the problem, input script or input cif file? The following are input files that can reproduce this error: raspa_input.zip

My system is Unbuntu 22.04

KASSARhahaha commented 2 months ago

Hi, have you solved the problem?

Darker1095 commented 2 months ago

Try to add a blank line at the end of the simulation.input file.