Hi, I had this problem too. unfortunately gmx not included tip3p model of water anymore. You have two ways. 1.using spc216 that gmx offers or 2.Buil your system in Ambertools (leap) and convert your .prmtop and .inpcrd files to .top and .gro if you persist on using tip3p water model i suggest you to pick second way. Regards, Amir
Subject: [gmx-users] sovation with tip3p Hi all, I'm going to do the step 3 in Justin's tutorial (Lysozyme in water) . In this step, the solvation is accomplished through this command: genbox -cp 1AKI_newbox.gro -cs spc216.gro -o 1AKI_solv.gro -p topol.top in which that spc216.gro is used. In first step I had used the TIP3P water model, here I'd rather to call TIP3P too. But there is not tip3p.gro in share/top . I would appreciate you if you give me any suggestion. Thanks in advance. Sincerely, Shima -- gmx-users mailing list [email protected] http://lists.gromacs.org/mailman/listinfo/gmx-users * Only plain text messages are allowed! * 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 [email protected]. * Can't post? Read http://www.gromacs.org/Support/Mailing_Lists -- gmx-users mailing list [email protected] http://lists.gromacs.org/mailman/listinfo/gmx-users * Only plain text messages are allowed! * 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 [email protected]. * Can't post? Read http://www.gromacs.org/Support/Mailing_Lists
