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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Received on Tue Feb 27 2018 - 05:00:03 PST
