Re: recursively calling sander?

From: David Pearlman <dap_at_vpharm.com>
Date: Mon 25 Feb 2002 19:10:22 -0800

Well, you can call Sander as many times as you want with
Interface. But Interface runs Sander as a spawned process,
not as a call.

So if your desire is (as I understand it) to be able to run
Sander, then start a second run automatically starting with
the output coordinates/velocities of the first run...then
the answer is YES, you can EASILY do so with Interface.

Interace offers a lot of looping capabilities that make such
things easy.

dap


Jeff Ames wrote:
>
> Hello -
>
> Is it possible, through Interface perhaps, to do a run with sander, and
> then to do another run on the resulting system, with different parameters?
> And is there a limit to the level of recursion you could do in Interface
> this way?
>
> Thanks,
> Jeff
Received on Mon Feb 25 2002 - 19:10:22 PST
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