[gmx-users] itp files in membrane simulation

priyanka srivastava priyankaps4 at yahoo.com
Fri Feb 9 09:32:23 CET 2007

Dear all,

I want to use lipid.itp & dmpc.itp for a bilayer
simulation, and I have
gathered this information so far that one has to
manually modify these itp
files in order to use the latest force fields, ie,
G43a2 etc.

Does this include lipid.itp file too which involves
various lipid-GROMOS

Also, is there any command or program which when
applied carries out the
required combination rules for evaluating lipid-GROMOS
interactions or
that also has to be done manually!!

I shall be highly thankful to you all,
Priyanka S.

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