Dear all, How to solve this error ? gmx grompp -f ions.mdp -c solv.gro -p topol.top -o ions.tpr -maxwarn 1
The command returns following errors while using " ions.mdp " ----------------------------------------------------- NOTE 1 [file ions.mdp] ERROR 1 [file lig.prm, line 49]: Encountered a second block of parameters for dihedral type 9 for the same atoms, with either different parameters and/or the first block has multiple lines. This is not supported. ----------------------------------------------------- Can I use the the mdp files used in Gromacs 5.1.4? em.mdp followed by em_real.mdp? -- 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.
