It is on now,you can use it. as Justin said you should validate it. best On Tue, Jan 18, 2011 at 9:37 PM, Justin A. Lemkul <jalem...@vt.edu> wrote:
> > > C.Y. Chang wrote: > >> Hi, >> >> I need to obtain the GROMOS96 topology files (and including the >> corresponding PDB files) for some small molecules. >> I could obtain them from PRODRG beta server before, but the server seems >> to shut down now. >> > > According to the site, it will be up within 24 hours. PRODRG is a fine > tool, but should not be viewed as sufficient to produce reliable topologies > in the absence of further validation and almost certain refinement. > > > How could I get them? or from other server or program? >> > > Regardless of how you produce your topologies, you should understand the > intrinsics of the force field so you can do proper validation. > > http://www.gromacs.org/Documentation/How-tos/Parameterization > http://www.gromacs.org/Downloads/Related_Software/PRODRG#Tips > > Pay special attention to the second link and the referenced material. > > -Justin > > >> Chia-yun Chang >> >> > -- > ======================================== > > Justin A. Lemkul > Ph.D. Candidate > ICTAS Doctoral Scholar > MILES-IGERT Trainee > Department of Biochemistry > Virginia Tech > Blacksburg, VA > jalemkul[at]vt.edu | (540) 231-9080 > 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 > 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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