Hi,
On Mon, Aug 16, 2021 at 3:40 AM Sadaf Rani <sadafrani6.gmail.com> wrote:
> parm complex_wild.prmtop
> reference complex_wild.inpcrd
> rst :491.C19 :145.O reference offset 3.85 rk2 10.0 rk3 10.0 out nap.dist
> run
> quit
Just to be clear, did the nap.dist file generated by cpptraj here work
ok for you? Or was your only issue with makeDIST_RST?
-Dan
> After this, I used makeDIST_RST as below as mentioned in the tutorial
> http://ambermd.org/tutorials/advanced/tutorial4/
>
> makeDIST_RST -upb nap.dist -pdb complex.pdb -rst RST.dist
>
> But I get the following:-
>
> # makeDIST_RST
> Currently configured for up to 50000 atoms
> ERROR can't open map file ./map.DG-AMBER for reading.
>
> Could you please give me suggestions on how can I add distance restraint
> correctly. I could not understand in the amber manual.
>
> Regards
> Sadaf
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Received on Mon Aug 16 2021 - 12:30:02 PDT
