[gmx-users] Can GROMACS simulate the bond forming and breaking

[Mark Abraham]

Wei, Xiupeng wrote:
> Hi GMX users,
>        Can GROMACS simulate the bond forming and breaking?

Technically, yes.

However if you need to ask that question, then it's highly likely that 
attempting such a simulation will require you to do a great deal of 
background reading and simulation practicing.

Mark