Den 2018-08-13 kl. 20:56, skrev Andrew Bostick:
Dear gromacs users
For fixing PBC problem, I used following command:
gmx_mpi trjconv -f md.trr -s md.tpr -n index.ndx -o new.xtc -pbc nojump
But I encountered with:
Program gmx trjconv, VERSION 5.1.3
Source code file:
Dear gromacs users
For fixing PBC problem, I used following command:
gmx_mpi trjconv -f md.trr -s md.tpr -n index.ndx -o new.xtc -pbc nojump
But I encountered with:
Program gmx trjconv, VERSION 5.1.3
Source code file:
/root/gromacs_source/gromacs-5.1.3/src/gromacs/utility/futil.cpp, line: 469
