Dear David,
I used " -ref inpcrd" as my reference coordinate.Is it Ok?
Best,
On Tue, Feb 27, 2018 at 2:36 PM, David A Case <david.case.rutgers.edu>
wrote:
> On Tue, Feb 27, 2018, Armin Hodaei wrote:
>
> >
> > I am trying to impose "ntr" constraint on my MD simulation. I need to
> > create a refc file to utilize as my input file. Does anyone know how may
> I
> > create this file, and how may I use it in my MD simulation.
>
> The "refc" file is typically the rst7 file you got when you first ran LEaP:
> such a file often represents the coordinates in a PDB file, and you might
> wish to limit the extent to which the simulation diverges from the input
> coordinates.
>
> If your use is not "typical", then modify the above advice.
>
> ....dac
>
>
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--
Armin Hodaei
Department of Physics,
Faculty of Arts and Sciences
Koc University, Istanbul
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Received on Tue Feb 27 2018 - 06:00:02 PST
