[gmx-users] em and pr

[Derrick Guang Yuh Lee]

dear gmx-users

i'd like just a confirmation on this, but can i perform an energy
minimization of a system w/ lipids, water, and a peptide, and restrain the
peptide such that it cannot move/will not move, and let everything else
settle around it by simply performing a standard energy minimization, but
changing the define variable in my mdp file to -DPOSRE (which is for my
peptide)?


 - derrick


 derrick Lee
 faculty of Science
 Memorial University of Newfoundland
 k24dgyl at mun.ca / 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