[gmx-users] Atoms in the .top are not numbered consecutively from 1

sreelakshmi ramesh sree.lakshmi at research.iiit.ac.in
Fri Jun 10 07:55:08 CEST 2011


Dear all,
            when i run energy minimization  i get the following error.

the topology file was created from the starting pdb file using g_x2top

*grompp  -f em.mdp  -c out.gro -p carbon.top  -o o.tpr -maxwarn 3*
Atoms in the .top are not numbered consecutively from 1 (rather, atomnr =
348, while at->nr = 0)
For more information and tips for troubleshooting, please check the GROMACS
website at http://www.gromacs.org/Documentation/Errors


regrds,
sree.
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