[AMBER] Trouble with running AMBER16 (MM/PBSA): extract_coords

From: Investigador Química <investigacion.faq.gmail.com>
Date: Thu, 14 Dec 2017 21:42:23 -0300

Dear Amber developers,

I had the Amber12 that worked well. The same calculations I tried to run on
Amber16 newly installed on another computer. The extract_coords of Amber16
indicates the following error

At line 434 of file make_crd_hg.F (unit = 5, file = 'stdin')

Fortran runtime error: Bad value during floating point read

make: *** [all] Error 141

In addition the mdcrd file of the prod1 generated by Amber16 has a size of
3,573.oo8 unlike the same file generated by Amber12 that has a size of

The prod.in used in both cases is:






  cut=8.0, ntb=2, ntp=1, taup=2.0,

  ntpr=5000, ntwx=5000,

  ntt=3, gamma_ln=2.0,



What can these problems be caused by? Could you please help me?
Thanking you in advance,
Área de Software
Investigación Facultad de Química
Universidad de Santiago de Chile
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Received on Thu Dec 14 2017 - 17:00:03 PST
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