[gmx-users] subroutine for removing overall motions

David spoel at xray.bmc.uu.se
Tue Jun 17 19:23:01 CEST 2003


On Tue, 2003-06-17 at 19:09, Nguyen Hoang Phuong wrote:
> Dear All,
> 
> can anyone tell me where the subroutine which performs the removing of
> overall translation and overall rotation during simulations is (the one
> which will be activated if the option comm = Angular is used) ? Thanks
> alot.
> 
src/mdlib/vcm.c
> Phuong
> 
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-- 
Groeten, David.
________________________________________________________________________
Dr. David van der Spoel, 	Dept. of Cell and Molecular Biology
Husargatan 3, Box 596,  	75124 Uppsala, Sweden
phone:	46 18 471 4205		fax: 46 18 511 755
spoel at xray.bmc.uu.se	spoel at gromacs.org   http://xray.bmc.uu.se/~spoel
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