[gmx-users] tpr file

ahmet yıldırım ahmedo047 at gmail.com
Tue Oct 16 13:42:37 CEST 2012


I converted a .tpr file to .pdb using editconf.
editconf -f md.tpr -o new-md.pdb
I visualised new-topol.pdb using pymol. It has the virtual sites.
Furthermore, the molecule(s) does not stay in the centre of the box.
I need a proper .tpr or .pdb file for analysis.
How can these problems fixed?

Thanks in advance
Ahmet Yıldırım

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