The file is not recognising your .str file. The name must be different in your mol2 file and str file. You just need to rectify that.
On Fri, 11 Oct 2019 at 8:51 PM, Suprim Tha <shrestha.suprim...@gmail.com> wrote: > I was trying gromacs tutorial on molecular dynamics simulation of > protein-ligand complex. Everything was going well until the step to > convert CHARMM > jz4.str file into GROMACS files using the command > python cgenff_charmm2gmx_py2.py JZ4 jz4.mol2 jz4.str charmm36-mar2019.ff > The error was: > Error in atomgroup.py: read_mol2_coor_only: no. of atoms in mol2 (22) and > top (0) are unequal > Usually this means the specified residue name does not match between str > and mol2 files. > I have attached the generated str and mol2 files. > Please help me find the error. > -- > Gromacs Users mailing list > > * Please search the archive at > http://www.gromacs.org/Support/Mailing_Lists/GMX-Users_List before > posting! > > * Can't post? Read http://www.gromacs.org/Support/Mailing_Lists > > * For (un)subscribe requests visit > https://maillist.sys.kth.se/mailman/listinfo/gromacs.org_gmx-users or > send a mail to gmx-users-requ...@gromacs.org. -- Dr. Nidhi PhD -- Gromacs Users mailing list * Please search the archive at http://www.gromacs.org/Support/Mailing_Lists/GMX-Users_List before posting! * Can't post? Read http://www.gromacs.org/Support/Mailing_Lists * For (un)subscribe requests visit https://maillist.sys.kth.se/mailman/listinfo/gromacs.org_gmx-users or send a mail to gmx-users-requ...@gromacs.org.
