Dear GMCS users Hi. Does anyone know if MD at 20000K is feasible?
Thanks, Best regards, Asaf ________________________________ From: gmx-users-boun...@gromacs.org [gmx-users-boun...@gromacs.org] on behalf of Erik Marklund [er...@xray.bmc.uu.se] Sent: Wednesday, March 28, 2012 10:37 PM To: Discussion list for GROMACS users Subject: Re: [gmx-users] x,y and z components of rmsf? I believe that rmsf can compute anisotropic b-factors, but have not tried it myself. Erik 28 mar 2012 kl. 22.32 skrev patrick wintrode: Does some one know of a way to get g_rms or g_rmsf to write out the x, y, and z components of the rms(f) for each atom/residue separately? Thanks. Patrick L. Wintrode Department of Pharmaceutical Sciences University of Maryland -- gmx-users mailing list gmx-users@gromacs.org<mailto: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<mailto: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
