Hi Chris: I´ve created my own dppc.itp using the ffG53a5 force field. I did that running only a dppc lipid of the membrane that is available on Tieleman's site and i included it on my topology file and of course put in it the number of dppc molecules . i haven´t had any problem with this simulation. I didn´t use the dppc.itp of the Tieleman's site.
But the topology of the popc isn´t on the gromacs database, for this i can´t do the same. How the difference between dppc and popc lipids are few atoms in the oleoyl chain i thougth i could to converter my own only_a_lipid_dppc.itp file into popc.itp file. That´s why the popc.itp file of the Tieleman's site was done with ffgmx force field. I think that i can to use the lipid.itp of the Tieleman's site and to converter it into ffG53a5 force field how you explain me. But my question is : Can i to obtain my own only_a_lipid_popc.itp file from my dppc.itp and do the same such as my dppc simulation? How could i do this? Cheers, Maite On 3/22/07, Chris Neale <[EMAIL PROTECTED]> wrote: If I understand correctly you want to construct popc.itp from the
dppc.itp that is available on Tieleman's site? And you have used PRODRG to do this? That sounds like a lot of extra work when popc.itp is directly available from Tieleman's site... http://moose.bio.ucalgary.ca/index.php?page=Structures_and_Topologies The fact that you want to use ffG53a5 and not ffgmx is more of an issue. To do that you need to avoid lipid.itp and do something like this: http://www.gromacs.org/pipermail/gmx-users/2006-September/023639.html However, you will want to heed this warning (or at least understand it): http://www.gromacs.org/pipermail/gmx-users/2006-September/023640.html Chris. _______________________________________________ gmx-users mailing list gmx-users@gromacs.org http://www.gromacs.org/mailman/listinfo/gmx-users Please don't post (un)subscribe requests to the list. Use the www interface or send it to [EMAIL PROTECTED] Can't post? Read http://www.gromacs.org/mailing_lists/users.php
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