Bing Bing, There is a topology available for POPC with ffG53a6 in the user contribution section.
Published in: Kukol, A., 2009. Lipid models for united-atom molecular dynamics simulations of proteins. J. Chem. Theor. Comput.,5(3), 615-626. However, it currently doesn't work with Gromacs 4, but I will upload the working topologies as soon as the new web-site allows me to do so. In the meantime you may contact me off-list. Best regards Andreas > -----Original Message----- > From: gmx-users-boun...@gromacs.org [mailto:gmx-users-boun...@gromacs.org] > On Behalf Of Mark Abraham > Sent: 23 July 2009 09:08 > To: Discussion list for GROMACS users > Subject: Re: [gmx-users] invalid angle type 0 > > Bing Bing wrote: > > Dear all, > > I 've prepared POPC and protein with ffG53a6 forcefield. I've also built > > the ligand in the protein with ffG53a6, but it is not working. Many atom > > types in the ligand which i work on is not found in ffG53a6*.itp but if i > > change the forcefield to ffgmx, it work fine. > > I have tried to add-in those unrecognize atomtype into the ffG53a6bon.itp > > and ffG53a5nb.itp from ffgmx*.itp. > > Don't mix force fields. See > http://oldwiki.gromacs.org/index.php/Category:Force_Fields > > > The atomtype error is solved But another > > error again (invalid angle type 0). I'm not sure went wrong. I've check > the > > angle types in the ffG53a6, i couldn't see what cause this. Please advice. > > May i know is it possible to use 2 differents forcefield in 1 system since > > the ligand work well with ffgmx and ffG53a6 is good for lipid? > > No. You need to develop a topology for both parts based on the same > force field. > > Mark > _______________________________________________ > gmx-users mailing list gmx-users@gromacs.org > http://lists.gromacs.org/mailman/listinfo/gmx-users > Please search the archive at http://www.gromacs.org/search before posting! > Please don't post (un)subscribe requests to the list. Use the > www interface or send it to gmx-users-requ...@gromacs.org. > Can't post? Read http://www.gromacs.org/mailing_lists/users.php _______________________________________________ gmx-users mailing list gmx-users@gromacs.org http://lists.gromacs.org/mailman/listinfo/gmx-users Please search the archive at http://www.gromacs.org/search before posting! Please don't post (un)subscribe requests to the list. Use the www interface or send it to gmx-users-requ...@gromacs.org. Can't post? Read http://www.gromacs.org/mailing_lists/users.php
