Hi GMX Users, please help me I am trying to begin a simulation of a protein and ligand coplex by gromacs4.6.3.
I am using AMBER99sb-ILDN force field and TIP4P water model. However, I am facing a problem in the ion adding step. when I issue the grompp command to generate the necessary .tpr file for simulation to be utilised by genion tool, I get the following error : Fatal error: number of coordinates in coordinate file (solv.gro, 102546) does not match topology (topol.top, 133916) whe i use tip3p, i don't get error. Thank you very much -- 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.