Re: [AMBER] Restart file format.

From: Daniel Roe <daniel.r.roe.gmail.com>
Date: Fri, 27 Sep 2019 14:09:23 -0400

You can also use cpptraj to convert your Netcdf restart into an ascii restart:

cpptraj -p myparm.parm7 -y restart.ncrst -x restart.rst7

-Dan

On Fri, Sep 27, 2019 at 1:45 PM 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
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Received on Fri Sep 27 2019 - 11:30:01 PDT
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