I am new to gromacs. I am generating Polymers structures of varying chain length via Avogrado software. I am not sure about how to generate the .itp file. for a specific force field, in my case say OPLSAA.
Also in case my polymer is a poly electrolyte how do I assign charges or how do I let the system know that I have a charged polymer. Can anyone help me with this? I tried using pdb2gmx command for generation of .itp but it didn't work out. I am using OBGMX server to generate .itp by giving pdb as an input. Can anyone help me with generating specific .itp file for a force field with charges in the polymer. Aijoni -- 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 [email protected].
