On Mon, Apr 09, 2018, Sehrish Naz wrote:
>
> At line 138 of file inpcrd_dat.F90 (unit = 9, file = '4_prod2.rst')
> Fortran runtime error: End of file
Type "ls -l 4_prod2.rst": what is the size of the file you are trying to
read? Also try "file 4_prod2.rst": what is the result?
> imin=0, ntx=7, irest=1, ntrx=1, ntxo=1,
^^^^^^^
This is a very unusual input choice: you are saying that the restraint
file is formatted, but you are not setting ntr in your input file.
Experiment with leaving this out.
> I am facing this problem since one month. I have tried to use iwrap and
> decrease the ntpr to 100 steps but by decreasing number of ntpr steps
> I get more number of frames. I don’t know why 500 ntpr steps are not
> working properly without any visible error...
I'm a little lost here: are you saying that you get energy output when
you set ntpr=100, but not when you set ntpr=500?
....dac
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Received on Mon Apr 09 2018 - 06:00:05 PDT
