Hey :) I see that I never stated to run the production run... But at that point in the tutorial there have been several equilibration runs already, so it should be trivial to figure it out. Yet I'll add a small paragraph at the end of the production run section. Thanks for the interest in the tutorial. I hope it's good for you.
Cheers, Tsjerk On Apr 15, 2011 10:04 PM, "Justin A. Lemkul" <[email protected]> wrote: Monisha Hajra wrote: > Hi Justin, > > I am trying to follow the protocol only. > More than the Gromacs own website, I find > http://nmr.chem.uu.nl/~tsjerk/course/molmod/md.html#production link is > more useful. > > Clearly. This is one of many tutorials linked from the site I posted before. However, I am stuck at one step which is mentioned : > http://nmr.chem.uu.nl/~tsjerk/course/molmod/analysis.html > > I am not able to understand how to create traj.trr, traj.xtc and ener.edr > file. Remaining all is self explained in the previous link. > > These files are output by mdrun, i.e. actually running a simulation. -Justin Really appreciate any help. > > Regards > Monisha > > > > > On Fri, Apr 15, 2011 at 8:06 PM, Justin A. Lemkul > > > > <[email protected]<mailto: > [email protected]>> ... > jalemkul[at]vt.edu <http://vt.edu> | (540) 231-9080 > > > http://www.bevanlab.biochem.vt.edu/Pages/Personal/justin > > > ==============================... > <mailto:[email protected]> > > > http://lists.gromacs.org/mailman/listinfo/gmx-users > Please > search the archive at > htt... > <mailto:[email protected]>. > > > Can't post? Read http://www.gromacs.org/Support/Mailing_Lists > > > -- ======================================== Justin A. Lemkul Ph.D. Candidate ICTAS Doctoral Schol...
-- gmx-users mailing list [email protected] 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 [email protected]. Can't post? Read http://www.gromacs.org/Support/Mailing_Lists
