Dear Anik, > Hi, Am Anik Sen. AM using GROMACS 3.3.2 for one of my work. Is there a particular reason you are using such an old version of gromacs?
If not then switch to the latest version as there have been many improvements > > I was trying to run the dynamics for some inorganic metal > halides solvation in water. A fatal error is comingthat: > * Atomtype "CH2r" not found. This is not enough information to let us help you please include the command you ran. e.g. "$ grompp -f mdout.mdp -c conf.gro -p topol.top" and all the relevant lines of the output. > But in my system I have no such atoms. Only water molecules with tip4p > model and the inorganic metal halides. So please can anyone state > whats the problem. Assuming this error is occuring from grompp it suggests that there is such an atom in your system check the [ atoms ] section in your .top file and also the atom names in your .gro file. Regards, Richard > > Thanking in advance > Anik Sen > > ======================================================== > Anik Sen > Student > CSIR-Central Salt & Marine Chemicals Research Institute, > Gijubhai Badheka Marg. > Bhavnagar, Gujarat 364002 > www.csmcri.org > ======================================================== > -- > gmx-users mailing list [email protected] > 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 [email protected]. > Can't post? Read http://www.gromacs.org/Support/Mailing_Lists -- gmx-users mailing list [email protected] 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 [email protected]. Can't post? Read http://www.gromacs.org/Support/Mailing_Lists
