Must end groups always be capped towards neutralization to simulate Inquiry?

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1

GROMACS version: 2022.1
GROMACS modification: No
Here post your question:

Must Protein end groups always be capped towards neutralization before a GROMACS simulatation Inquiry?

Thanks:)

2

You only need to cap them termini if they are not the actual (chemical) termini of the polypeptide.

3

Hi Justin thank you for your kind update:).