[gmx-users] pbc problem

tangxuan tangxuan82 at gmail.com
Mon Oct 15 20:31:08 CEST 2007

Dear all,
  If pbc is full or xyz in mdp file, do i need to use the "trjconv -pbc
nojump" to remove the jump when the protein is separate in the box after
simulation and I want to calculate the rmsd of the protein?  What is
difference of use of pbc in mdp file and in "trjconv -pbc nojump"?

Thank you!!

Tang Jiaowei 

More information about the gromacs.org_gmx-users mailing list