[gmx-users] accleration group

David van der Spoel spoel at xray.bmc.uu.se
Mon Jan 21 19:51:38 CET 2002

On Mon, 21 Jan 2002, Rui Qiao wrote:

>Dear All:
>	In using Gromacs to do NEMD, I apply an accleration to each atom
>in the system and when I run "grompp", it shows me a message like:
>	"Net Acceleration in X direction, will be corrected"
>	What does this means?
This means that grompp corrects for a net force on the system because it
would lead to net center of mass velocity.
Actually this has nothing to do with pulling, but with e.g. computing
viscosity etc.

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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