no that is not my answer Yu. for example I would like to design a molecule e.g. CO2, I would like oxygens connected to Carbon in each molecule, but do no interact with rest of system. I guess I should change the ffbonded.itp in the following:
keep the length bond but change the interaction strength to zero, and then restrain the bond length in .mpd file. but I am not sure ? Best regards On Thu, Nov 9, 2017 at 10:15 AM, Du, Yu <d...@sioc.ac.cn> wrote: > Hi, > > From your limited information, I suggest you have a look at the Tabulated > Potentials, www.gromacs.org/Documentation/How-tos/Tabulated_Potentials > > Best, > Yu > > -- > Du, Yu > PhD Student, > Shanghai Institute of Organic Chemistry > 345 Ling Ling Rd., Shanghai, China. > Zip: 200032, Tel: (86) 021 5492 5275 > > > -----Original Messages----- > > From: "Faezeh Pousaneh" <fpoosa...@gmail.com> > > Sent Time: 2017-11-09 16:58:12 (Thursday) > > To: gromacs.org_gmx-users@maillist.sys.kth.se > > Cc: > > Subject: [gmx-users] only interaction inside the molecule > > > > Hi, > > > > I would like an atom of my molecule only interact (LJ) with its own > > molecule, not the rest of system, how can I do that? > > > > thanks for reply, > > Best regards > > > > -- > 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. > -- 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.