[gmx-users] About implicit wall...

2011-10-26 Thread Kiwoong Kim
Dear members of gromacs Hi, I'm a beginner of gromacs. I want to simulate the diffusion problem when the particle diffuses into the cylinder pore which has the implicit wall (with some atoms). The diffusing particle has to be updated during the integration step but the particle on the

Re: [gmx-users] About implicit wall...

2011-10-26 Thread Mark Abraham
On 26/10/2011 6:47 PM, Kiwoong Kim wrote: Dear members of gromacs Hi, I'm a beginner of gromacs. I want to simulate the diffusion problem when the particle diffuses into the cylinder pore which has the implicit wall (with some atoms). I don't understand the sense in which it could be an