Hello all. I must apologize for my own stupidity. I actually believed
that in order to use nmropt=1, one had to set ntr=1. I have fixed
that, setting ntr=0 and the simulation now works.
One more question. Is cuda accelerated COM or jarzynski going to be
enabled once again?
Thank you again. I am terribly sorry for any inconvenience.
Fabrício
2012/9/19 Jason Swails <jason.swails.gmail.com>:
> On Wed, Sep 19, 2012 at 1:21 PM, Fabrício Bracht <bracht.iq.ufrj.br> wrote:
>
> At line 757 of file file_io.F90 (unit = 5, file = 'mdin')
>> Fortran runtime error: End of file
>>
>> Since Unit 5 on the mdout file refers to the reading of the reference
>> file, I have tried to change the reference file.
>>
>
> Unit 5 is the mdin file. As Niel said, it was looking for the GROUP input
> file for positional restraints.
>
> HTH,
> Jason
>
> --
> Jason M. Swails
> Quantum Theory Project,
> University of Florida
> Ph.D. Candidate
> 352-392-4032
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Received on Wed Sep 19 2012 - 12:30:05 PDT
