<table cellspacing="0" cellpadding="0" border="0" ><tr><td valign="top" style="font: inherit;">Hi ALL,<br><br>I am trying to run a simulation of a GPCR protein in a POPC bilayer. I have got the lipid.itp file and trying to use the ffgmxbon.itp and ffgmxnb.itp for the simulation. I am getting errors like "LC3 atom not found", "HC atom not found" after incorporating several changes in the itp files according to previous posts with same problem. I think ffgmx.itp has only the parameters for the lipid atoms. So I tried to use two FFs simultaneously, ffgmx.itp and ffG53a1.itp. But in that case I get the error of parameter overwriting. I have tried all the suggestions from the mail list but still cannot run grompp successfully. I shall be glad if someone can briefly explain how to run grompp to generate a tpr file for this protein + POPC + water simulation.<br>Any suggestion is welcome.<br><br>Regards,<br><br><br><div><font color="#0000bf"
size="4"></font> </div><div style="color: rgb(0, 0, 191);"><strong>Anirban Ghosh</strong></div><div style="color: rgb(0, 0, 191);"><strong>Grade Based Engineer<br>Bioinformatics Team<br>Centre for Development of Advanced Computing (C-DAC)<br>Pune, India<br></strong></div></td></tr></table><br>
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