[gmx-users] Error: Atoms in the .top are not numbered consecutively

변진영 byunjy0614 at gmail.com
Wed Dec 4 03:31:20 CET 2019


Dear All,

I am gromacs beginner and I have gone through the Justing Lemku tutorial
for KALP_15 in DPPC.
I have reach the step three and trying to solve the error.
The command line is:
  $ gmx grompp -f minim_inflategro.mdp -c system_inflated.gro -p topol.top
-r system_inflated.gro -o system_inflated_em.tpr

And the error message is:
  ERROR 1 [file topol.top, line 31]:
  Atoms in the .top are not numbered consecutively from 1 (rather, atomnr =
  1, while at->nr = 50)

So I check the topol.top file and think that there is no problem in
topol.top file
Is there anything I lost when I prompted the grompp module? I don' t know
what I missed..

Any idea as to what cause this problem?

-Jinyoung


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