Sir, Ok Thanks.
With Regards M. Kavyashree On Tue, Jun 28, 2011 at 4:25 PM, Justin A. Lemkul <[email protected]> wrote: > > > Kavyashree M wrote: > >> Dear users, >> >> Has anyone done simulation with a broken crystal structure? >> I know that it can be modeled before simulating. But I just wanted >> to know whether any one had done with the crystal structure having >> breakage as such without modelling. >> >> > You need an intact starting structure to create a reasonable topology and > run any sort of simulation. Missing termini may not be significant, but any > atoms or residues missing within the chain have to be reconstructed. > > -Justin > > -- > ==============================**========== > > 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<http://www.bevanlab.biochem.vt.edu/Pages/Personal/justin> > > ==============================**========== > -- > gmx-users mailing list [email protected] > 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 [email protected]. > Can't post? Read > http://www.gromacs.org/**Support/Mailing_Lists<http://www.gromacs.org/Support/Mailing_Lists> >
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