[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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