Hi,
my suggestion is to follow the indication that you got from the error
See the mdrun " option -rdd, for pairs and tabulated bonds also see option
-ddcheck"
Best regards
Alessandra
On Wed, Jan 15, 2020 at 12:33 AM Sadaf Rani wrote:
> Dear Gromacs users
> I am facing this error during free en
Dear Gromacs users
I am facing this error during free energy calculation of protein-ligand for
which I have applied restrained to some atoms of protein residue and
ligand.
A list of missing interactions:
Restraint Pot. of 1 missing 1
Molecule type 'Protein'
the first 10 missing int
