Hi I think it is a typical ligand in your pdb file.what do you think? if it be a ligand you can use PRODRG server to make topology file for your ligand and you must edit other files. please read this article: "GROMACS Tutorial for Drug – Enzyme Complex" best mohsen
On Sat, Oct 16, 2010 at 11:32 AM, mohsen ramezanpour < ramezanpour.moh...@gmail.com> wrote: > Hi > I think it is a typical ligand in your pdb file.what do you think? > if it be a ligand you can use PRODRG server to make topology file for your > ligand and you must edit other files. > please read the attached article. > best > mohsen > > On Sat, Oct 16, 2010 at 11:04 AM, leila karami <karami.lei...@gmail.com>wrote: > >> Hi gromacs users >> >> I want to study simulation of a protein including calcium ion. Can I use >> gromacs force fields? >> >> any help will highly appreciated. >> >> -- >> 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 >> > >
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