Hi,
I calculated the electrostatic potential using g_potential across a
large 416-lipid POPC bilayer from a 200 ps trajectory. The bilayer is
well-hydrated, and has zero charge.
However, I get a very odd potential which starts off at 0.0 and ends
at 0.6 V, but is not monotonically increasing all the time. I can
attach a small 8 kb jpg if the admins allow it. Otherwise you might
get an idea of the shape from the diagram below if it turns up right.
The bilayer is between the points 2 and 2. Any tips why this might
happen ?
Thank you very much !
-Himanshu
1
1
1
1
1
1
1
1 1
1 1 1
1 1 1
1 1 1
1 1 2
1 1 1 1
1 1 1 1
1 1 1
1 1
2
_______________________________________________
gmx-users mailing list gmx-users@gromacs.org
http://www.gromacs.org/mailman/listinfo/gmx-users
Please search the archive at http://www.gromacs.org/search before posting!
Please don't post (un)subscribe requests to the list. Use the
www interface or send it to [EMAIL PROTECTED]
Can't post? Read http://www.gromacs.org/mailing_lists/users.php
