[AMBER] Problems to minimize with Sander

From: Investigador Química <investigacion.faq.gmail.com>
Date: Wed, 17 Sep 2014 15:19:58 -0300

Hi AMBER users:

Now I'm trying to run the "min.in" file to minimize.
I put in the console the instruction:

 sander -O -i test.in -o test.out -c cnt.inpcrd -p cnt.prmtop -r cnt.rst

and the system tell me:

At line 524 of file mdread.F90 (unit = 5, file = 'test.in')
Fortran runtime error: End of file

The "test.in" file is in the correct directory and I have all the necessary
files to minimize in the same directory.

How can I to solve this problem?

The test.in file have this instruction for default:

  imin   = 1,
  maxcyc = 500,
  ncyc   = 250,
  ntb    = 0,
  igb    = 0,
  cut    = 12
Best regards
María José
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Received on Wed Sep 17 2014 - 11:30:03 PDT
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