Hello,<br><br>I think you got that error message because in the lipid.itp the interaction parameters between the lipid atoms and the gromos atoms are from the ffgmxnb.itp (see the begining of lipid.itp). But for you it is irrelevant, because you have only POPC and water in your system. (so the line #include "ffG43a1.itp" in your top file is wrong in one hand and not necessary on the other hand)<br><br>Zoltan <br><br><b><i>Itamar Kass <ikass@uq.edu.au></i></b> wrote:<blockquote class="replbq" style="border-left: 2px solid rgb(16, 16, 255); margin-left: 5px; padding-left: 5px;"> Shalom Pragya,<br><br>I wonder if the 'grompp' program finished properly after it gives you <br>this message? If not, please send the command you used and the output <br>you got from it.<br><br><br>Best,<br>Itamar<br><br>pragya chohan wrote:<br>> hi i m pragya, i found this article .... i used ffG43a1 and got this <br>> error when ran grompp:<br>> Atomtype 'CA'
not found! . i m using popc128a.pdb from tieleman site and <br>> m using "lipid.itp"<br>> <br>> #include "ffG43a1.itp"<br>> #include "lipid.itp"<br>> #include "popc.itp"<br>> #ifdef FLEX_SPC<br>> #include "flexspc.itp"<br>> #else<br>> #include "spc.itp"<br>> #endif<br>> #ifdef POSRES_WATER<br>> ; Position restraint for each water oxygen<br>> [ position_restraints ]<br>> ; i funct fcx fcy fcz<br>> 1 1 1000 1000 1000<br>> #endif<br>> ; Include generic topology for ions<br>> #include "ions.itp"<br>> [ system ]<br>> ; Name<br>> Pure DPPC bilayer with 128 lipids and 3655 water molecules<br>> [ molecules ]<br>> ; Compound #mols<br>> POPC 128<br>> SOL 2460<br>> ------------------------------------------------------------------------<br>> <br>> <br>>
------------------------------------------------------------------------<br>> Windows Live Spaces is here! It�s easy to create your own personal Web <br>> site. Check it out! <http: spaces.live.com="" ?mkt="en-in"><br>> <br>> <br>> ------------------------------------------------------------------------<br>> <br>> _______________________________________________<br>> gmx-users mailing list gmx-users@gromacs.org<br>> http://www.gromacs.org/mailman/listinfo/gmx-users<br>> Please search the archive at http://www.gromacs.org/search before posting!<br>> Please don't post (un)subscribe requests to the list. Use the <br>> www interface or send it to gmx-users-request@gromacs.org.<br>> Can't post? Read http://www.gromacs.org/mailing_lists/users.php<br><br>-- <br>"Prediction is very difficult, especially about the future" - Niels Bohr<br><br>===========================================<br>| Itamar Kass, Ph.D.<br>| Postdoctoral Research
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