AMBER Archive (2008)

Subject: Re: AMBER: Binary restart file !!

From: Sampath Koppole (sampathkoppole_at_yahoo.com)
Date: Wed Feb 06 2008 - 11:01:43 CST

Hello David,
Its my mistake. I went thro' the manual again and
fixed the problem by changing ntx to 6 (from ntx=5). I
am sorry to have bothered you.

Thanks a lot for your prompt response,
Cheers,
Sampath.

--- "David A. Case" <case_at_scripps.edu> wrote:

> On Wed, Feb 06, 2008, Sampath Koppole wrote:
>
> > I am wrote out the restart file from a MD run in
> the
> > binary format (by setting NTXO = 0). Now I am not
> able
> > to read this restart file. Amber complains:
> >
> > Fortran runtime error: Bad value during integer
> read
> > At line 130 of file inpcrd_dat.f90
>
> It looks(?) like you have a bad value for ntx, since
> line 130 of inpcrd_dat
> is part of the code that is trying to read a
> *formatted* restart file. What
> value of ntx did you use?
>
> ...dac
>
>
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