[gmx-users] no. of atoms in PDB doesnt match topology file

Mark Abraham Mark.Abraham at anu.edu.au
Thu Jul 9 02:57:32 CEST 2009

P.R.Anand Narayanan wrote:
> dear gromacs users,
> Recently i got an error stating that the coordinates of the PDB file 
> doesnt match the topology file and it showed 0 atoms in the topology. 
> This happened during the grompp command for positional restrain. What 
> may be the possible reasons.. Please recommend ways to overcome this.



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