[gmx-users] PBC after energy minimization

[Mohamed Abdelaal]

Hello everybody,

In order to solve the PBC at the end I use the command:

*gmx trjconv -s md_0_1.tpr -f md_0_1.xtc -o md_noPBC.xtc -pbc mol *

followed by:

*gmx trjconv -s md_0_1.tpr  -f md_noPBC.xtc -o md_noPBC.pdb*


I want to solve this problem after the energy minimization but I don't have
.xtc file to use it as I do at the end.

How can I solve this problem after the energy minimization ?

Thanks,
Mohamed