[gmx-users] g_density and g_potential for DMPC bilayer
spoel at xray.bmc.uu.se
Sun Jun 22 17:09:01 CEST 2003
On Sun, 2003-06-22 at 16:59, Andrei Gurtovenko wrote:
> Dear Xavier,
> thanks for your advices.
> You are right, it's possible to re-center bilayer using trjconv,
> the problem is that one needs to do that for EVERY frame of simulation
> because COM position of bilayer fluctuates in time.
> It seems to me that this needs extra coding.
you may consider using center of mass groups for your next simulation.
You can then stop the com motion of different groups in your simulation.
> As for the program for determining PN vector of a PC-head,
> it would be nice to have it, if possible.
I'm not sure what you're after. Have you checked g_order and g_rotacf
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
More information about the gromacs.org_gmx-users