[gmx-users] em and pr

Derrick Guang Yuh Lee k24dgyl at mun.ca
Fri Jun 18 20:04:46 CEST 2004

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

 - 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
                                                              - bruce lee

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