- GROMACS Bug #347 (Closed): g_rmsdist results depend on the box
- Created an attachment (id=390) Input and outp ... ter molecule in box (implied by -box and -d) -center vector 0 0 0 Coordinates of geometric ... ter molecule in box (implied by -box and -d) -center vector 0 0 0 Coordinates of geometric ... > 0 0.122408 [extchees@axle TESTG_DISTRMSD]$
- GROMACS Bug #279 (Closed): editconf periodic box center issue
- This bug must be well known; however, I could ... -o box.gro Setting the center manually with -center works fine in version 4.0.3. It would be ni ... ocenter back (pretty please!). Thanks, John
- GROMACS Bug #239 (Closed): PATCH: option for centering in xy direction via trjconv
- Created an attachment (id=307) Modifies gmx_t ... the centering routine and adds a new option -centerxy centering the group only in xy direction in the box.
- GROMACS Bug #99 (Closed): trjconv: broken molecules with -pbc whole; molecules out of box with -pbc com
- When trying to put an amino acid in the cente ... aced a single water molecule outside the box!