[gmx-users] Protein-drug tutorial

[chandran karunakaran]

Dear GMX users,

   I just started using GROMACS.
I tried first speptide tutorial.
I was successful. Then I tried
Protein-drug tutorial. I got the
following error message when I ran
grompp. Would you kindly tell what 
should I do for this error?
Any help would be appreciated.

With thanks

Dr.C.Karunakaran


"Back Off! I just backed up mdout.mdp to
./#mdout.mdp.18#
Warning: as of GMX v 2.0 unit of compressibility is
truly 1/bar
checking input for internal consistency...
calling c:/gromacs/bin/cpp...
processing topology...
Cleaning up temporary file gromppa00572
Fatal error: Atoms in the .top are not numbered
consecutively from 1"


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