[gmx-users] gmxbench-3.0.tar.gz

Scott Delinger scott.delinger at ualberta.ca
Tue Jun 11 06:37:39 CEST 2002

Forgive the newbie question, please:

in the gmxbench-3.0.tar.gz file, there is a grompp.mdp file for DPPC, 
Poly-ch2, and Villin, but not LZM. Should there be a grompp.mdp file 
in LZM? I've run "grompp && mdrun" in the other three directories 
without a problem, but have lost my way with LZM. Any help is 
appreciated. I'm running these on Dual Athlons (on only one processor 
as I haven't gotten the MPI version to compile (I've installed both 
MPICH and LAM, but MPICH is my default)) with results similar to the 
published results.

Thanks. (Apologies to the admin: I misread something from the 
registration email.)

Scott L. Delinger, Ph.D.		IT Administrator
Department of Chemistry
University of Alberta
Edmonton, Alberta, Canada  T6G 2G2
scott.delinger at ualberta.ca

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