[gmx-users] protein rotation!

[David]

On Wed, 2003-05-21 at 07:06, Jinzhi Tan wrote:
> Dear Sir:
> If I use the version of 3.1.4, can I solve the protein rotation? If so, what parameter can achieve this? Thank you very much!
> 
yes

comm_mode = ANGULAR

or something like that. You should only do it in vacuum.
-- 
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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