[AMBER] Fast 3-point water residue error

From: Artur Hermano <artur.hermano.hotmail.com>
Date: Wed, 16 Feb 2022 20:32:53 +0000

​Hello, Amber users!

I am receiving the following error message when I try to minimize my system (protein+glycan+peptide in a water box):

Error: Fast 3-point water residue, name and bond data incorrect!

I have originally built my system using CHARMM ff, then converted it to Amber input files using Chamber through Parmed. I cannot imagine what water-related issue can be happening here, and the web results do not seem of great help either. Do you guys have any idea what might be wrong here or what I should examine more carefully?

Thank you!

Artur

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Received on Wed Feb 16 2022 - 13:00:02 PST
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