Steven Neumann wrote:
Dear Gromacs Users,
To avoid pbc in my trajectory file I used command:
trjconv -f md.trr -s md.tpr -pbc mol -ur compact -center -o md.xtc
I have choosen protein to be centered. Everything is ok with my protein
which does not jump and remains centered in the box.
Dear Gromacs Users,
To avoid pbc in my trajectory file I used command:
trjconv -f md.trr -s md.tpr -pbc mol -ur compact -center -o md.xtc
I have choosen protein to be centered. Everything is ok with my protein
which does not jump and remains centered in the box. However, some of my
ligands ch
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