Hi Steffen,<br>Thanks very much for the prompt reply. i made the changes as mentioned such that my popc.top looks like this :-<br>#include "ffgmx.itp"<br>#include "lipid.itp"<br>#include "popc.itp"
<br>#include "ffgmx2nb.itp"<br>#include "ffgmx2bon.itp"<br><br>however is still get the same message "Fatal error: Bonded/nonbonded atom type 'LP2' not found!". <br>i forgot to mention one thing in my earlier mail that the
ffgmx.atp file provided with originally from GROMACS , i replaced the contents of it by the contents present in the ffgmx.atp file present in the ffgmx_lipids folder as downloaded from the Gromacs website. <br> <br><br>my understanding is this shouldn;t cause the problem since the orinigal
ffgmx.atp file ( as provided by gromacs) doesn;t contain all the atom types. in fact when i compared the both files i found that the ffgmx.atp file (from ffgmx_lipids folder ) has the following extra entries which were required for the lipid simulation. i am kind of confused as to where i am committig the mistake. plz help. thanks.
<br><br>Arindam Ganguly<br><br><br><br><br><br><br><br>Hi Arindam,<br>you've simply got to switch two lines in the *.top file: lipid.itp has<br>to be called by the topology before popc.itp, as it contains the<br>information on atomtypes for GROMACS. So:
<br><br>#include "lipid.itp"<br>#include "popc.itp"<br><br>should work just fine.<br>Greetings<br>Steffen