Re: [gmx-users] question about define groups

On 12/27/12 8:44 PM, yeqing1211 wrote: Hello everyone: I prepar to make a QM/MM simulation by employing gromacs compiled with mopac, and need to define two groups which are treated by QM and MM separately, the question is this: during the dynamics course of my research system, particles

[gmx-users] question about define groups

Hello everyone: I prepar to make a QM/MM simulation by employing gromacs compiled with mopac, and need to define two groups which are treated by QM and MM separately, the question is this: during the dynamics course of my research system, particles will enter/leave the QM zone, so there is a