ERROR 1 [file res.itp, line 57]:
Invalid Atomnr j: 4, b2->nr: 3
I am getting the above error for the command
gmx grompp -f em.mdp -c solv.gro -p topol1.top -o ions.tpr. My res.itp file
is given below. I couldnot understand the meaning of this error. Can you
please help me? part of the .itp is
I am trying to do the molecular dynamics of DNA-ligand complex. I made the
ligand files using antechamber and converted the amber files to .gro and
.top using acpype.pl. Then I made the complex.gro. when I am trying to run
grommp ions.mdp and em.mdp, it gives error saying the following
Command
