Thanks Justin for your reply. What I actually did, I edited the .atp file by hand as follows- OWT3 15.99940 ; TIP3P WATER OXYGEN HW 1.00800 ; WATER HYDROGEN
and I added those lines in the [atomtypes] section of ffnonbonded.itp file- OWT3 8 0.000 0.000 A 0.24889e-02 0.24352e-05 HW 1 0.000 0.000 A 0.00000e +00 0.00000 Is it not possible to do work with tip3p water model with gromos 53a6 force field? -- View this message in context: http://gromacs.5086.x6.nabble.com/Atomtype-OWT3-not-found-during-EM-step-tp5009528p5009661.html Sent from the GROMACS Users Forum mailing list archive at Nabble.com. -- gmx-users mailing list gmx-users@gromacs.org 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 gmx-users-requ...@gromacs.org. * Can't post? Read http://www.gromacs.org/Support/Mailing_Lists