[gmx-users] Brownian dynamics
David van der Spoel
spoel at xray.bmc.uu.se
Wed Feb 13 14:38:53 CET 2002
On 13 Feb 2002, Michel Fodje wrote:
>integrator = bd
>dt = 1.000
Isn't a timestep of 1 ps a bit much? Try 0.005 (5 fs)
Groeten, David.
________________________________________________________________________
Dr. David van der Spoel, Biomedical center, Dept. of Biochemistry
Husargatan 3, Box 576, 75123 Uppsala, Sweden
phone: 46 18 471 4205 fax: 46 18 511 755
spoel at xray.bmc.uu.se spoel at gromacs.org http://zorn.bmc.uu.se/~spoel
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