[gmx-users] Differenec between forcefiedL ffgmx.itp, ffgmxnb.itp? For DPPC simulation

Yuhua Song yhsong at ccb.wustl.edu
Wed Oct 29 01:14:01 CET 2003


I download the DPPC64.pdb from Peter Tieleman's group websit, when I use
pdb2gmx to generate the *.top and *.gro file, I choose 0 ( gromacs force
field).In the generated *.top file, it shows that :

;include force field parameters
# include "ffgmx.itp"

In Peter Tieleman's website, it said: dppc.itp should be used together with
lipid.itp.  lipid.itp is the force fied of DPPC, my understanding is right?
Also in Tieleman's websit, it said that ffgmxnb.itp need to be modified with

My question is: in my *.top file, in the section, I should:
# include "lipid.itp"
# include "ffgmx.itp"
# include "lipid.itp"
# include "ffgmxnb.itp"

or just
# include "lipid.itp"

Your input will be very appreciated.

Thank you very much.


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