[gmx-users] bouncing molecules

[Derrick Guang Yuh Lee]

dear gmx-users

i was just curious if someone could give me some insight to a particular
problem i am having. i have been working on a DPPC monolayer and just ran
a simulation for 1ns. when i look at it in VMD, it appears as if one or
two of the DPPC lipids all of a sudden bounce from one edge of my box, to
the opposite end.

the only conclusion i can come up w/ is that the box is too small and the
lipid is being cut and sent to the opposite side for some reason. if
there is another reason, please inform me, and of any possible ways to
fix this. thanks.


 - derrick



 derrick Lee
 faculty of Science
 Memorial University of Newfoundland
 k24dgyl at mun.ca or derrickglee at hotmail.com

"a teacher is never a giver of truth - he is a guide, a pointer to the
truth that each student must find for himself. a good teacher is merely a
catalyst."
                                                              - bruce lee