Re: [AMBER] GLYCAM and scaling of electrostatic and nonbonded interactions

From: David A Case <>
Date: Thu, 11 Jun 2020 14:02:54 -0400

On Thu, Jun 11, 2020, Jordi Bujons wrote:

>Now, my doubts came when I read the following
>on the glycam section of the amber 2017 reference manual:

Even in 2017 this was out of date, to wit:
>Beginning with Amber 11, [released in 2009!] it is now possible to employ
>mixed scaling of the scnb and scee parameters. Anyone wishing to simulate
>systems containing both carbohydrates and proteins should use the new
>mixed scaling capability. To do this, any scaling factors that differ
>from the default must be included in the parameter file. Beginning with
>the GLYCAM_06g parameter file shipped with Amber 11, these factors are
>already included.

Bottom line: you should be fine. Amber has recognized and used variable
1-4 scaling parameters for more than a decade. I'll arrange to get this
paragraph removed from the Reference Manual.


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Received on Thu Jun 11 2020 - 11:30:03 PDT
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