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Creating molecules for more systems than the maximum allowed: 1 #55

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zhangshd opened this issue Mar 25, 2024 · 2 comments
Open

Creating molecules for more systems than the maximum allowed: 1 #55

zhangshd opened this issue Mar 25, 2024 · 2 comments

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@zhangshd
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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
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Hi, have you solved the problem?

@Darker1095
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Try to add a blank line at the end of the simulation.input file.

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