>Then something is wrong with the way you've done it, because the job of spc.itp >is to define the [moleculetype] SOL and all its relevant parameters.
Hm...not sure what the matter is. Added a forcefield as well as spc.itp to the .top file made by acpype. Still getting the error "Fatal error: No such moleculetype SOL" Here is a list of commands and explanations of what I did: http://pastebin.com/raw.php?i=V5wrRdme Here is the .top: http://pastebin.com/raw.php?i=LzCANQZw Here are the files I am using: http://www.sendspace.com/file/5ps0i1 It is important to note that genbox did not add the amount of cyclohexanes added to system in the .top (it did do it for the waters though). Perhaps that is a bug? >You need a parent force field that defines all the bonded and nonbonded >interactions in the system. Whether or not this is one that comes with Gromacs >or one you design yourself, you still have to satisfy all of the internal >mechanics (see Chapter 5). Whether or not there is a protein is completely >irrelevant; force fields do much more than just proteins. I see, interesting. Added it to the .top :) >Well, PRODRG parameters are pretty low-quality anyway, but it's a convenient >example for doing a tutorial rather than trying to teach people how to use other >external software ;) As you know I am using acpype, is it any better? What do you use? Thank you for the help Justin, it is extremely appreciated :) -- 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
