[gmx-users] A problem about forcefield ffG43a2 for lipid layer system!

yong pei ypnju at yahoo.com.cn
Tue Nov 19 15:08:50 CET 2002

Dear all,

  I am wanting to perform a simulation of lipid
bilayer system.But I have seen in the GROMACS manual
that this field does not approciate for the long side
alkane chain system.
  The lipid molecules I want to simulate contain a
long side chain and a ALA peptide residue. I am
wandering now that wether it approciate if I use the
parameters in ffG43a2.itp for the peptide residue but
the R-B parameter for the long side chain. And how can
I use the R-B parameter in the forcefield ffG43a2.Does
it only need to change the 'funct' in the
[dihedraltypes] to 3 ?

  Thank you
  yong pei
  Najing Univ.  

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