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In the sentence:

It's a duty to take the bus to Barcelona, the most beautiful city in Spain.

Shall I use the infinitive or the gerund after "duty"?

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The first thing you have to do is clarify what you want the sentence to say. I think there's a translation problem here. The sentence says that "It's a duty to take the bus to Barcelona". One way of understanding this is that "If you go to Spain, then you absolutely {must/have to} go to Barcelona because it's the most beautiful city in the country!"

A duty is an obligation; that is, it's something that you {must/have to} do.

Therefore, the sentence should probably be something like this:

"If you go to Spain, then you must go to Barcelona by bus, because it's the most beautiful city in the country, and the bus ride is allows you to see the gorgeous countryside."

You can use a gerund too:

"If you go to Spain, taking the bus to Barcelona is a must, because it's the most beautiful city in the country, and the bus ride is allows you to see the gorgeous countryside."

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