Re: [AMBER] MM-PBSA calculation error

From: David A Case <>
Date: Wed, 6 May 2020 08:36:48 -0400

On Wed, May 06, 2020, Serena Vittorio wrote:
>I'm trying to perform MM-PBSA calculation but when I execute the coordinates extraction I get this error:
>At line 434 of file make_crd_hg.F (unit = 5, file = 'stdin')
>Fortran runtime error: Bad value during floating point read.

It looks like the format of your input file may be wrong: it should be a
formatted trajectory file. If it's not obvious from this hint, can you
report the result of typing "head <filename>" where <filename> is the
file used as stdin for your job?


AMBER mailing list
Received on Wed May 06 2020 - 06:00:07 PDT
Custom Search