Re: [AMBER] Setting PME cutoff in Crystal Simulations

From: Matthew Guberman-Pfeffer <>
Date: Tue, 5 Jan 2021 04:37:22 -0500

Thanks, Dr. Case. I’ll quote the error message as soon as the job runs again (I had accidentally written over the output when playing with the cutoff threshold).

I’m already using a supercell of 16 proteins (each with 71 AA), where 12 proteins form the promoter, and the central four proteins offer the nice statistical sampling you mentioned. I could easily enough make the system still larger.

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Received on Tue Jan 05 2021 - 02:00:03 PST
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