On Fri, Mar 19, 2010, Ben Roberts wrote:
>
> When running a minimisation in sander with XMIN, it seems to not
> write trajectories or restart files.
>
> Is there a reason for that other than that no-one has added that
> functionality yet? If not, does anyone have any objections to my
> going ahead and adding it?
It's too late for any non-critical changes. Please hold off on this until
Amber11 is released, then put it into the development tree. If people really
clamor for trajectory files during minimization, we can issues a bugfix.
...dac
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Received on Sat Mar 20 2010 - 08:30:03 PDT
