Bugs fixed¶
PDB with a box of size 1 Angstrom are interpreted as having no PBC¶
PDB files with structures not determined from X-ray should have a unit-cell with P=1 and dimensions of 1 Angstrom to indicate no periodic boundary conditions. GROMACS now interprets such structures as not having PBC.
Analysis tools now always process time values in double precision¶
This avoids picking incorrect frames when times values are large.