Re: [AMBER] {SPAM?} Re: Vacuum simulation problem

From: Matthew Guberman-Pfeffer via AMBER <amber.ambermd.org>
Date: Mon, 21 Nov 2022 09:44:54 -0500

Hi David,

Thanks! igb=6 was the key— pmemd works now. It maybe of interest to note that the energies given by pmemd with igb=6 match those given by sander with igb=0.

Best,
Matthew


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Received on Mon Nov 21 2022 - 07:00:03 PST