Thanks a lot Justin! On Tue, May 15, 2012 at 4:20 PM, Justin A. Lemkul <jalem...@vt.edu> wrote:
> > > On 5/15/12 5:54 AM, Anirban wrote: > >> Hi ALL, >> >> How accurate are the topologies of non-standard molecules generated by >> ATB or >> SWISSPARAM for GROMACS? Are they acceptable for publications? Are we >> required to >> carry out manual checks like that required for PRODRG outputs? >> Any suggestion is welcome. >> >> > I would always verify parameters before running real production > simulations. I believe ATB and SwissParam are, in general, far more > reliable than PRODRG, but I doubt it can be stated universally that any > automated method is inherently flawless. > > -Justin > > -- > ==============================**========== > > Justin A. Lemkul, Ph.D. > Department of Biochemistry > Virginia Tech > Blacksburg, VA > jalemkul[at]vt.edu | (540) 231-9080 > http://www.bevanlab.biochem.**vt.edu/Pages/Personal/justin<http://www.bevanlab.biochem.vt.edu/Pages/Personal/justin> > > ==============================**========== > -- > 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> >
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