Hello Hélène--
>
> For example, in the eginput/saxs_EI script,
> there are two consecutive command lines:
> rampedParam.append(MultRamp(0.9,0.8 "xplor command ('param nbonds repel
> VALUE end end')"))
> and then, just after:
> rampedParam.append(MultRamp(0.04,4, "xplor command ('param nbonds repel
> VALUE end end')"))
>
> Which line is taken into account? and if both are, when and why this one
> specifically?
>
I believe the second line actually had this XPLOR command: 'param
nbonds rcon VALUE end end', setting the force constant via rcon,
rather than the radius scale via repel. However, in more recent
versions of Xplor-NIH the radius scaling has been removed entirely in
these examples, due to a change in the default parameters.
But, if there were two lines which set the same parameter, the second
would override the first as the items in the rampedParams list are
iterated through, in order.
I hope this helps--
Charles
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