Source code file: readir.c, line: 1402 Ftal error: 1 atoms are not part of any of the T-Coupling groups --- For creating the index file before grompp i used the following command make_ndx -f em.gro -o index.ndx 0 System : 248986 atoms 1 Protein : 5019 atoms 2 Protein-H : 3...
> I have set up the randomly placed cyclohexane and water throughout the box. > The problem is when i try the command "grompp -f em.mdp -c biphase.gro -p > cyclohexane.top -o em.tpr" it errors telling me "No such moleculetype SOL". > > I know SOL is water, and the .top f...
GROMACS top File <textarea id='top' style='width: 95%; height:80%; margin: 0px;'></textarea> HELP 2022-04-14