5 dec 2012 kl. 17.26 skrev Justin Lemkul: > > > On 12/5/12 11:21 AM, Kavyashree M wrote: >> Sir, >> >> Thank you for your suggestions. I decided the cutoff based on >> RMSD convergence. I will calculate at different time intervals. >> Running multiple simulation is definitely the best suggestion but >> due to time and machine constraint it would be difficult. Instead >> I have two mesophilic simulations. But Is there any other way >> by which I can prove this point? >> > > Not using single trajectories. Your job is to convince reviewers that your > work is sound. A single trajectory is not convincing, at least to any > reviewer that does his or her homework :) >
I don't think that the use of single trajectories is necessarily "wrong", as long as they are sufficiently long. It's usually the amount of sampling that is the crucial point, no? Erik > -Justin > > -- > ======================================== > > Justin A. Lemkul, Ph.D. > Research Scientist > 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 ----------------------------------------------- Erik Marklund, PhD Dept. of Cell and Molecular Biology, Uppsala University. Husargatan 3, Box 596, 75124 Uppsala, Sweden phone: +46 18 471 6688 fax: +46 18 511 755 er...@xray.bmc.uu.se http://www2.icm.uu.se/molbio/elflab/index.html -- 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
