Hi gmx-users,<br>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 <a href="http://moose.bio.ucalgary.ca/index.php?page=Downloads">
http://moose.bio.ucalgary.ca/index.php?page=Downloads</a> <br>then i also downloaded the ffgmx_lipids files from the gromacs website.<br><br>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 <br>; Include the force field parameters <br>#include "ffgmx.itp"<br>#include "popc.itp"<br>#include "lipid.itp"<br>#include "
ffgmx2nb.itp"<br>#include "ffgmx2bon.itp"<br>; Include water topology<br>#ifdef FLEX_SPC<br>#include "flexspc.itp"<br>#else<br>#include "spc.itp"<br>#endif<br>[ system]<br>;POPC + Water EM
<br>[molecules]<br>; name number<br> POPC 128<br> SOL 2460 <br> when i give the following command<br>"grompp -f em.mdp -c popc128a_b4em.gro -p popc.top -o popc.tpr"<br>it gives me an error saying "atom type LP2 not found".
<br><br>however the lipid.itp and popc.itp allhave the declaration for LP2 atom type. but still why there is an error. plz help. thanks.<br><br>Arindam <br><br>