Hi All, Thank you very much for suggestions! It turned out that there was a missing entry in the top file. After adding the following: #include "spc.itp" grommp finished without any errors :-)
Cheers, Artur 2010/9/23 TJ Mustard <musta...@onid.orst.edu>: > On September 23, 2010 at 3:02 PM Artur Panczakiewicz > <apanczakiew...@gmail.com> wrote: > >> Dear Gromacs Users, >> >> I'm a freshman and would like to lear how to use GROMACS in my >> research starting from tutorial. I've just installed the newest >> version and try to repeat all of the steps from the chapter that >> describes the preparation of Ribonuclease A to MD simulation. In my >> case it is not possible, unfortunatelly. The grompp program crashes >> such a way: >> >> ------------------------------------------------------- >> Program grompp, VERSION 4.5.1 >> Source code file: toppush.c, line: 1987 >> >> Fatal error: >> No such moleculetype SOL >> For more information and tips for troubleshooting, please check the >> GROMACS >> website at http://www.gromacs.org/Documentation/Errors >> ------------------------------------------------------- > > > > This usually means you have "SOL" coupled to a temperature, and if you don't > have SOL in your system/.top/.gro you will get this error. This coupling is > in the .mdp file. If you are running the system in a vacuum you must remove > the SOL from the mdp file. If you want some kind of SOL (SPC, TIP3P, etc), > you must add this in by making a box with solvent in it. The tutorial will > most likely have this in it. > > > > > >> > I tried to install GROMACS on other machine with different Linux >> distribution but the error in grompp was the same. >> What is important, I installed version 4.0.7 and it works well! I >> don't have any idea what is going on. >> Does anyone have a similar problem? >> >> Regards, >> Artur >> -- >> 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 >> > > > > TJ Mustard > Email: musta...@onid.orst.edu > > -- > gmx-users mailing list gmx-us...@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