[gmx-users] Stochastic Boundary MD using GROMACS?

Komath Damodaran kdamodaran at telik.com
Fri Oct 27 01:46:20 CEST 2006

I am a gromacs-user-want-to-be. The kind of simulations that I am
interested in is what is called 'stochastic boundary MD' in the CHARMM
lingo, where you don't have to use periodic boundary conditions. I
wonder if it is possible to use GROMACS for such calculations. I would
greatly appreciate if someone can provide any helpful pointers. A search
of the archive didn't show anything useful.


Thanks in advance,



Komath Damodaran

Scientist, Computational Chemistry

Telik, Inc.

3165 Porter Drive

Palo Alto, CA 94304

Tel: (650) 845-7838, Fax: 650-845-7800


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