[gmx-users] adkgromacstutorial error

Mahmood nt_mahmood at yahoo.com
Tue Jul 3 13:48:57 CEST 2018

Hi,Following adkgromacstutorial, at the energy minimization step [1], I hit an error. All previous steps are fine.

 Command line:
  gmx grompp -f md.mdp -p ../top/4ake.top -c ../posres/posres.pdb -o md.tpr -maxwarn 3

ERROR 1 [file md.mdp, line 94]:
  Right hand side '2.5     2.5' for parameter 'tau-p' in parameter file is
  not a real value

Although it says line 94, I see that parameter is in line 76
$ grep -n tau-p md.mdp 
76:tau-p                  = 2.5     2.5         ; Barostat coupling constant (ps) – Piggot (5.0)

Any idea about that?

[1] https://adkgromacstutorial.readthedocs.io/en/latest/simulation.html


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