Thanks alot for the info. Nancy
On Fri, Mar 25, 2011 at 6:22 PM, Justin A. Lemkul <jalem...@vt.edu> wrote: > > > Nancy wrote: > >> Hi All, >> >> I would like to calculate RMSDs of a large number of small molecule >> conformations against a reference conformation, is there a simple software >> program or method that can be used to perform such calculations? >> > > This can easily be scripted: > > > http://www.gromacs.org/Documentation/How-tos/Making_Commands_Non-Interactive > > -Justin > > >> Thanks in advance, >> Nancy >> >> >> > -- > ======================================== > > 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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