[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
++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++




More information about the gromacs.org_gmx-users mailing list