[gmx-users] LJ14 interactions on DPPC
leekumjo at vt.edu
Mon Mar 14 23:52:15 CET 2005
I am using Dr. Tieleman dppc.itp and lipid.itp. I was wandering if
anyone can explain the following:
1 In the [pairs] section, from my understanding, there should be more
1-4 interactions in DPPC molecules. Why is it not all listed?
2 Does LJ14 in DPPC always be zero, that is all the energy term has
already been taking into account by [dihedrals]?
3 If using Dr. Tieleman's files, whether gen-pairs = yes or no, will
there always be values for C6 and C12 for LJ14 because of the [pairs]
and [pairtypes] listed?
Any help in this matter would be greatly appreciated.
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