[gmx-users] LJ14 interactions on DPPC

Sukit Leekumjorn 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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