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Even in 2017 this was out of date, to wit: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.
...regareds...dac
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Received on Thu Jun 11 2020 - 11:30:03 PDT
