Hi, I'm getting an unusual warning whenever I execute *$ grompp -f em.mdp -c solv.gro -p topol.top -o ions.tpr * saying:
*Warning: atom name 4687 in topol.top and solv.gro does not match (C1B - N7N)* *.....* *......* *WARNING 1 [file topol.top, line 44227]:* * 71 non-matching atom names* * atom names from topol.top will be used* * atom names from solv.gro will be ignored* I'm having a protein ligand system, where topology of ligand (*ligand.itp*) is generated from CGenFF and *ligand.gro* (for building the *complex.gro*) file was obtained from PRODRG server. Please suggest me a way out of this. Thank you. -- Abhisek Mondal *Senior Research Fellow* *Structural Biology and Bioinformatics Division* *CSIR-Indian Institute of Chemical Biology* *Kolkata 700032* *INDIA* -- 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.