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 http://moose.bio.ucalgary.ca/index.php?page=Downloads
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 as
; 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"
#else
#include "spc.itp"
#endif
[ system]
;POPC + Water EM
[molecules]
; 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.
Arindam
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