Hi Guys I have been trying by all means to get a real good Energy conservation in NVE simulations using gromacs but it has been almost impossible for me. I have tried many different combinations of Coulomb and VdW parameters and changed the cut off radius and nothing. 1. Have you ever obtained energy conservation in Gromacs? 2. Under what conditions ? for what system? 2. Do you have a set of parameters that works to obtain energy conservation? if you can share with me the mdp file, I will appreciate it. My system is Human Papiloma Virus virus-like particle T=1 inmersed in SPC water.
Thanks John Michael Espinsoa Duran -- View this message in context: http://gromacs.5086.x6.nabble.com/Have-your-ever-got-a-real-NVE-simulation-good-energy-conservation-in-gromacs-tp5008501.html Sent from the GROMACS Users Forum mailing list archive at Nabble.com. -- 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
