On 5/1/20 9:29 AM, John Whittaker wrote:
Hi Mohamed,
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
Hi Mohamed,
> 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
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