There is no need to use x2top to make so primitive topology. It is much easier to type it by hand. But even if you decided to do it you should firstly add the 1-bonded nitrogen (and I guess, the same for oxygen further) atom to ffgmx.n2t file.
If I were you I would make the own FF not to depend on any standard one. [atomtype] N ................ O ................ C ................ [molecule] ................ [atoms] N ................. N ................ [bondtypes] ...................... And so on. Also don't forget to point out LJ parameters, not only bond constants. 2008/8/14 Andy Shelley <[EMAIL PROTECTED]>: > I am currently just trying to get 1 molecule to work. > So I added the morse potential to ffgmxbon.itp as: > > [ bondtypes ] > ; i j func b0 kb > N N 3 0.10980 943.0433 0.2642 > > and received this error message after using x2top with an ENCAD force field > > Fatal error: No forcefield type for atom N (1) with 1 bonds > > Any ideas on what might be causing the error. I am also using GROMACS 3.3.1. > > Thanks, > Andy > > -- Vitaly V. Chaban School of Chemistry National University of Kharkiv Svoboda sq., 4, Kharkiv 61077, Ukraine email: [EMAIL PROTECTED] skype: vvchaban _______________________________________________ gmx-users mailing list gmx-users@gromacs.org http://www.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 [EMAIL PROTECTED] Can't post? Read http://www.gromacs.org/mailing_lists/users.php
