Hello I think the easiest way to do this is to use multiple tables. Look at:
http://www.gromacs.org/Documentation/How-tos/Tabulated_Potentials There are some details there. ciao Gareth 2011/3/22 Vinícius Contessoto <vinicius...@yahoo.com.br>: > hello! > I trying to simulate a protein with C-alpha model (my protein have only > alpha-carbons) . I need two different interatomic interactions. > 1 - Some interactions in a specific alpha-carbons, using a Lennard Jones 10 > -12 potential (i'm determining the pairs in my topology file). > 2 - All carbons in my system should to interact among themselves with a > Buckingham potential ( here is the problem - how can i use this potential for > all my atoms and a LJ 10-12 to just a few atoms?) > I'm using a table for a LJ 10-12 and trying to use a table to Buckingham. > > Thank You! > > > > -- > 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/Support/Mailing_Lists/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/Support/Mailing_Lists > -- 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/Support/Mailing_Lists/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/Support/Mailing_Lists
