[gmx-users] POPC simulation

Arindam Ganguly arindamganguly at gmail.com
Mon May 22 21:32:13 CEST 2006

Hi gmx-users,
i am trying to run a POPC simulation. this is what i have done. i downloaded
the popc128apdb, lipid.itp , popc.itp files from the following website
then i also downloaded the ffgmx_lipids files from the gromacs website.

i have copied the files from the ffgmx_lipids to /share/top folder. in the
popc.top (popc topology) files i have mentioned it to include all of these
; Include the force field parameters
#include "ffgmx.itp"
#include "popc.itp"
#include "lipid.itp"
#include "ffgmx2nb.itp"
#include "ffgmx2bon.itp"
; Include water topology
#ifdef FLEX_SPC
#include "flexspc.itp"
#include "spc.itp"
[ system]
;POPC + Water EM
; name      number
  POPC        128
  SOL         2460
  when i give the following command
"grompp -f em.mdp -c popc128a_b4em.gro -p popc.top -o popc.tpr"
it gives me an error saying "atom type LP2 not found".

however the lipid.itp and popc.itp allhave the declaration for LP2 atom
type. but still why there is an error. plz help. thanks.

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