[gmx-users] g_dipoles problems!
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,
> ËÉÏÂ2003ÐÂÆ·È«ÃæÉÏÊÐ£¬¸ßÆ·ÖÊ£¬ºÃÑ¡Ôñ£¡ (http://ad4.sina.com.cn/shc/zhuiyu_hprefresh.html)
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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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