[gmx-users] Another boring imaging question

david.evans at ulsop.ac.uk david.evans at ulsop.ac.uk
Wed Jul 14 13:09:58 CEST 2004

Dear all,

The coordinates in the .tpr file generated by grompp (extractable via
editconf) are different from those input in to grompp in the .gro file

grompp -v -f md_equil.mdp -c input.gro -p input.top -norenum -o
editconf -f md_equil.tpr -o output.gro

results in files input.gro, output.gro which are different. In my
particular case, output.gro has my DNA duplex split in half across
the box. 
Is there a reason for this, or can I stop it? :) It messes up the
trjconv -nojump option.



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