Thanks but I already checked the literature. What I want to do is, to be able to trace down the parameters in the nonbonded file like it can be done for any version of gromos. There are slight changes among different force fields and I'd like to be able to find that. When I find where it reads spc/e parameters for c27, i want to play with the parameters that's why i am asking the file read.
Thanks, Nihal On Wed, Jul 20, 2011 at 11:05 PM, Mark Abraham <mark.abra...@anu.edu.au>wrote: > On 21/07/2011 12:59 PM, E. Nihal Korkmaz wrote: > >> Dear all, >> >> I was trying to see the LJ parameters for SPC/E water in Charmm27.ff >> implementation in Gromacs. In the ffnonbonded.itp file i can see parameters >> for TIP3P, TIP4P, SPC but not for SPC/E. Does SPC/E use the same parameters >> with SPC? (but the charges listed in the ffnonbonded.itp is different than >> the ones listed in spce.itp) >> > > Why not check out the primary literature? Search GROMACS manual for SPC, > follow the reference link for the relevant citation. > > Mark > -- > gmx-users mailing list gmx-users@gromacs.org > http://lists.gromacs.org/**mailman/listinfo/gmx-users<http://lists.gromacs.org/mailman/listinfo/gmx-users> > Please search the archive at http://www.gromacs.org/** > Support/Mailing_Lists/Search<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<http://www.gromacs.org/Support/Mailing_Lists> > -- Elif Nihal Korkmaz Research Assistant University of Wisconsin - Biophysics Member of Qiang Cui & Thomas Record Labs 1101 University Ave, Rm. 8359 Madison, WI 53706 Phone: 608-265-3644 Email: kork...@wisc.edu
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