JAL> I'm not 100% sure, as I've never had a need to break down energy terms in this JAL> level of detail, personally.
Me too. :) JAL> My guess would be that the SR contributions would JAL> come from short-range cutoffs, i.e. those that come from neighborsearching. The JAL> LR contributions would be, for example, from PME. I think you are right about it. Let it be so. I've understood what term I wanted now. JAL> Vitaly Chaban wrote: >> Thank you very much! >> >> So what energy is described by Coul-SR:SOL-SOL? And by LJ-SR? >> Lennard-Jones-short range..? What is it? >> >> >> JAL> Vitaly Chaban wrote: >>>> Hello, >>>> >>>> Please give me a hint what 'SR' in >>>> Coul-SR:SOL-SOL >>>> >>>> mean? It's in g_energy when it asks to select terms for analysis. >>>> >> >> JAL> SR = short-range >> >> >> -- Vitaly V. Chaban School of Chemistry National University of Kharkiv Svoboda sq.,4, Kharkiv 61077, Ukraine email: [EMAIL PROTECTED] skype: vvchaban _______________________________________________ gmx-users mailing list [email protected] http://www.gromacs.org/mailman/listinfo/gmx-users Please search the archive at http://www.gromacs.org/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/mailing_lists/users.php
