you must use ntxo=1 for ASCII restart
and ioutfm=0 for ASCII trajectories.
Best Regards
On Fri, 27 Sep 2019 at 23:17, Parviz Seifpanahi Shabane <sparviz.vt.edu>
wrote:
> Hi All,
> I need my restart file to be like this (below)
> default_name
>
> 69318 0.7925000E+05
> 89.5756228 71.8718765 -3.2277402 88.5899685 71.8860483 -3.4477124
> 90.0492991 72.3557556 -3.9771349 89.6176336 72.3475656 -2.3377655
> 90.0865892 70.4736077 -3.1116408 90.1718025 70.0398868 -4.1079986
> But what I get is non-readable (netcdf) one. I changed the ioutfm=0, but
> still get the same format what else do I need to change?
> Best
>
>
>
> --
> Parviz Seifpanahi
> Ph.D. Candidate
> Department of Physics
> Virginia Tech, Blacksburg, Va 24061
> _______________________________________________
> AMBER mailing list
> AMBER.ambermd.org
> http://lists.ambermd.org/mailman/listinfo/amber
>
_______________________________________________
AMBER mailing list
AMBER.ambermd.org
http://lists.ambermd.org/mailman/listinfo/amber
Received on Fri Sep 27 2019 - 11:00:03 PDT