>That said, there is an spc.itp within the AMBER subdirectories that needs to be >#included more explicitly, i.e. #include "amber99sb.ff/spc.itp" > >May I ask why you are using SPC? The AMBER force fields were parametrized with >TIP3P, so I see no viable reason to use a different water model.
Ah, fixed and works like a charm, thank you :) To be completely honest I was using it out of ignorance. I've just been checking what has worked for me in tutorials and been working from there to something I am more interested in. >It's not a bug, because genbox does not advertise such a feature. genbox is >hard-coded to only ever deal with water. Anything else is up to the user. Interesting, any reason a user would not want such a feature? >Any force field can be parametrized to give correct target data, especially for >a molecule as simple as cyclohexane. What I use is a complex question, because >it depends entirely upon the task at hand :) Can you list a few so I can go check them out on my own? It would be appreciated :) Thank you Justin, I appreciate your time you give helping me :) -- 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
