Re: [AMBER] ERROR: max pairlist cutoff must be less than unit cell max sphere radius!

From: Timothy Giese via AMBER <amber.ambermd.org>
Date: Wed, 29 May 2024 13:29:08 +0000

You could decrease the value of "cut" in &cntrl or rebuild the system with more solvent so you have a bigger box. In principle, one could alternatively reduce the value of "skinnb" in &ewald, but my advice would be to add more water so you have a larger box.

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Received on Wed May 29 2024 - 06:30:02 PDT