See Manual, 5.3.3 Catch ya,
Dr. Dallas Warren Medicinal Chemistry and Drug Action Monash Institute of Pharmaceutical Sciences, Monash University 381 Royal Parade, Parkville VIC 3010 dallas.war...@monash.edu +61 3 9909 9304 --------------------------------- When the only tool you own is a hammer, every problem begins to resemble a nail. > -----Original Message----- > From: gmx-users-boun...@gromacs.org [mailto:gmx-users- > boun...@gromacs.org] On Behalf Of Gonçalo C. Justino > Sent: Saturday, 25 September 2010 5:21 AM > To: gmx-users@gromacs.org > Subject: [gmx-users] vanadium non-bonded parameters > > Dear gmx'ers, > > Does anyone know of any (published or not) non-bonded parameters for > vanadium species for any of the forcefields implemented in GROMACS ? > > If not, my question is: what is the meaning of the null values for > sigma and epsilon in, e.g., amber03, for Fe: > > FE 26 55.00 0.0000 A 0.00000e+00 0.00000e+00 > [from the ffnonbonded.itp file] > > Thks for any help, > Gonçalo > -- > 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
-- 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
