Hey, Olga - > Also please can you tell me where can I get "ffgmx.itp" file?
/$gromacs_folder/share/gromacs/top/ffgmx.itp as well as all other standard topology files are there. By trying to run md I am getting an error: Fatal error: > moleculetype UNK is redefined Please post you top and itp files here. Looks like you have 2 creatine molecules in your topology right now. Good luck! Vitaly > I still have troubles of starting running md for creatine. For which I > created topology using PRODRG programm. > The only difference between creatine.top and creating.itp is that creatine > top has additional lines: > #include "ffgmx.itp" > #include "creatine.itp" > > Also please can you tell me where can I get "ffgmx.itp" file? > > By trying to run md I am getting an error: Fatal error: > moleculetype UNK is redefined -- 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
