[gmx-users] input/output error when running Hessian matrix in double precision

Collins Nganou nganoucollins at gmail.com
Wed May 28 15:35:48 CEST 2008


 Dear gmx-users.

 Greetings.

 I am trying to calculate Hessian matrix by  using gromacs 3.3.3.
But I receive the following error when I am running :mdrun_d -s 3ns -c
equil.gro -g md.log  -e 3ns_ener.edr -mtx nm.mtx
I didn't understand  what is wrong.


########################################################################

-------------------------------------------------------
Program mdrun_d, VERSION 3.3.3
Source code file: futil.c, line: 313

File input/output error:
md.log
-------------------------------------------------------

"Correctomundo" (Pulp Fiction)

Halting program mdrun_d

gcq#117: "Correctomundo" (Pulp Fiction)

[0] MPI Abort by user Aborting program !
[0] Aborting program!
p0_13474:  p4_error: : -1
   p4_error: latest msg from perror: No such file or directory

############################################################################


Please someone can tell me how I can do to solve it.

can I already have a link for gromacs 3.3.3 doc.

Thanks a lot for all  help.

Collins.
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