Re: [gmx-users] Atom type 'AS' not currently supported by GROMOS.

2019-09-23 Thread Justin Lemkul
On 9/23/19 1:43 PM, Yogesh Sharma wrote: i want to simulate arsenic containing molecule in gromacs. i tried to develop topology of the molecule but I am getting error "Atom type 'AS' not currently supported by GROMOS". Is gromacs restricted to use some metals like Arsenic? It's not a

[gmx-users] Atom type 'AS' not currently supported by GROMOS.

2019-09-23 Thread Yogesh Sharma
i want to simulate arsenic containing molecule in gromacs. i tried to develop topology of the molecule but I am getting error "Atom type 'AS' not currently supported by GROMOS". Is gromacs restricted to use some metals like Arsenic? -- Gromacs Users mailing list * Please search the archive at