Hi Surya,
The first part ss a warning, not an error. It also says (implicitly) that
if the molecules are not broken across PBC then there's nothing to worry
about whatsoever. So just assert that your molecules are not split over
PBC. Have a look at the trajectory. If there are frames with one
Dear gromacs users,
I have done energy minimization of clustered PDBs. When I try to
calculate the RMSD between the minimized clustered PDB and the
starting structure of MD simulations I got the following warning.
If there are molecules in the input tarjectory file that are broken
across
