[gmx-users] multiple forcefields

Derrick Guang Yuh Lee k24dgyl at mun.ca
Tue Jun 22 19:27:01 CEST 2004

dear gmx-users

right now i am working with a dppc bilayer from dr. tieleman's website
which requires the ffgmx forcefields, but i have a peptide from my boss
which contains all the hydrogens, which is from experimental data so she
wants all those hydrogen's kept, which i can only get to work and keep the
protons there if i use the ffmgx2 forcefields, and obviously there is
overlap between the two forcefields. is it at all possible to combine the
two sets of forcefields without compromising either structures and/or
calculations that will be done?

 - 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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