Can you send me the parameters I need to use....for FE....
On Mon, Apr 16, 2012 at 2:55 PM, francesco oteri <[email protected]>wrote: > Hi, > You have to had LJ parameters in ffnonbonded.itp file in the subfolder > relative to your force-field > > Francesco > > Il giorno 16 aprile 2012 11:08, Kamalesh Roy <[email protected]>ha > scritto: > >> CAn any one siggest me how can I run simulation a protein containing Fe >> atom, >> I have changed the iions.itpfile and included there Fe in residue >> type.dat >> bu still it is returning an error. >> >> FE parameter not found. >> >> -- >> gmx-users mailing list [email protected] >> 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 [email protected]. >> Can't post? Read http://www.gromacs.org/Support/Mailing_Lists >> > > > > -- > Cordiali saluti, Dr.Oteri Francesco > > -- > gmx-users mailing list [email protected] > 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 [email protected]. > Can't post? Read http://www.gromacs.org/Support/Mailing_Lists >
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