[gmx-users] How to make itp with pdb2gmx?

Gary gromacs_newbie at yahoo.com
Thu Aug 26 19:29:49 CEST 2004

Hi All,

I got this from the example.top on Tieleman's site:

; topology for 1 alm molecule, 128 popc lipids, water
and 1 counter ion
; alm.itp can be made in a straightforward manner with
pdb2gmx, starting
; with a pdb file of alamethicin.
; make sure lipid.itp, popc.itp and alm.itp are in a
location where
; grompp can find them (GMXLIB, current directory, or
directory given in 
; the .mdp file with the include option. 

How do you generate an itp file in a straightforward
manner with pdb2gmx?

Is there any other way to generate alm.itp for
alamethicin?  I have tried PRODRG with no success.

Thanks in advance.


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