Dear all, Recently i performed two 15ns simulation of protein-ligand systems using gromacs of my interest...and using g_energy tool..i calculated crude interaction energy based on short-‐range energy components Eint = <ELJ> + <ECoul>. ...I got two Eints for two simulations
1) Eint = -51.003 Kcal/mol (first simulation) 2) Eint = -26.615 Kcal/mol (second simulation) Can anybody tell me what meaning can i make out of it...means is first simulation is more stable than second one..or vice versa... Thanks in advance Regards -- Sainitin D
-- 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
