Hi Marc,
thanks for advise!
yes I've already tried to make cpptraj inputs from the shell scripts..
James
2015-01-28 10:35 GMT+01:00 Marc van der Kamp <marcvanderkamp.gmail.com>:
> I'm almost certain that this is not possible.
> But a better way to go about it is probably the reverse: incorporate
> running (small) cpptraj scripts in a shell script.
> (Of course, Dan or others may chime in here)
> --Marc
>
>
> On 28 January 2015 at 09:21, James Starlight <jmsstarlight.gmail.com>
> wrote:
>
> > Dear Amber users!
> >
> > I wonder to ask whether it will possible to add simple shell scripting
> > patterns within the cpptraj input files: for instance to define some
> simple
> > variables or to add for and whole looping (what are especially would be
> > useful if I try to proceed big number of trajectories).
> >
> >
> > Thanks for help,
> >
> >
> > James
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Received on Wed Jan 28 2015 - 02:00:03 PST
