[gmx-users] Re: x2top error in CNT simulation (David van der Spoel)

Dear Gromacs, Actually, the error is for all the 144 atoms on SWNT_6_6_144: when I ran: x2top -f SWNT_6_6_144.pdb -o SWNT_6_6_144.top -r SWNT_6_6_144.rtp Error message appeared: Can not find forcefield for atom C-1 with 2 bonds . Can not find forcefield for atom C-143 with 2 bonds Can not

Re: [gmx-users] Re: x2top error in CNT simulation (David van der Spoel)

Hero wrote: Dear Gromacs, Actually, the error is for all the 144 atoms on SWNT_6_6_144: when I ran: x2top -f SWNT_6_6_144.pdb -o SWNT_6_6_144.top -r SWNT_6_6_144.rtp Error message appeared: Can not find forcefield for atom C-1 with 2 bonds . Can not find forcefield for atom C-143 with 2