[gmx-users] About implicit wall...

Kiwoong Kim kimkw at sogang.ac.kr
Wed Oct 26 09:47:51 CEST 2011

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 implicit wall must not be updated.

Hence, I don't know how I can do this kind of thing. 

Is there any function to handle the implicit wall that must be rigid and not to be updated ? 


Kiwoong, Kim.
No. 409/Ricci Hall/Dept. of Chemical & Biomolecular Engineering/
Sogang University/Sinsoo-Dong/Mapo-Gu/Seoul 121-742/ Korea
(office) +82-2-705-8477
(CP) +82-10-8714-2208
(fax) +82-2-3272-0319
(E-mail) kimkw at sogang.ac.kr

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