Got it.
Thank you very much Dr.
On Tue, 12/20/2016 08:27 AM, David Case <dacase.scarletmail.rutgers.edu> wrote:
> On Tue, Dec 20, 2016, Mohaddeseh Habibzadeh wrote:
>
> > I still have problem with the rst file!
> > When I want to make a pdb file -->Error: Could not read restart atoms/time.
> > Is there anyway to change the format to default one?!
>
> The default is ntxo=2, which gives a netcdf file; if you want the older
> formatted form, set ntxo=1.
>
> > And I attached the minimization output.I couldn't find a way for it!
>
> There error in your attached file had nothing to do with the restart file.
> You set ntr=1, asking for positional restraints, but you had no entries
> saying which atoms were to be restrained, or by how much. You need to
> set the restraint_wt and restraintmask input variables.
>
> ...good luck....dac
>
>
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Received on Tue Dec 20 2016 - 07:30:02 PST
