[WARNING] xxx invalid DIHEDRAL_PERIODICITY = 0 found in Complex topology

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Gustavo Avelar Molina

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Jan 19, 2024, 5:49:10 PMJan 19
to gmx_MMPBSA
Dear gmx_MMPBSA users,

When I run gmx_MMPBA on my MD trajectory, I getting the following warning:

"...
[INFO   ] Building Normal Complex Amber topology...

[INFO   ] Detected Amber/OPLS force field topology format...

[WARNING] 134 invalid DIHEDRAL_PERIODICITY = 0 found in Complex topology... Setting DIHEDRAL_PERIODICITY = 1"

What does it mean? Is this something to be worried about?

Best regards,

Gustavo

Mario E. Valdes-Tresanco

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Jan 20, 2024, 12:04:21 AMJan 20
to Gustavo Avelar Molina, gmx_MMPBSA

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