thanks :) 2011/1/19 mohsen ramezanpour <ramezanpour.moh...@gmail.com>
> 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 >> > > > -- > 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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