[gmx-users] g_dipoles problems!

David spoel at xray.bmc.uu.se
Wed Dec 10 08:35:01 CET 2003

On Wed, 2003-12-10 at 06:24, nanyu101 at sina.com wrote:
> Dear gmx-users,
>   I tried to calculate two helices dipoles in different enviroments....
>   Firstly, I have tried to run dynamics for these two helices in spc water... the dipole of helix I is larger than that of the helix II....
>   Secondly, I have tried to insert these two helices into the DPPC bilayer... and run the dynamics.... the dipole of helix II is much larger than that of helix I....
>   I do not know what the problem is? 
How about sidechains, length of the helices, are they straight or bent?
> Best wishes,
> nanyu
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David van der Spoel, PhD, Assist. Prof., Molecular Biophysics group,
Dept. of Cell and Molecular Biology, Uppsala University.
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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