----- Original Message ----- From: abdullah ahmed <abdullah_renk_ah...@hotmail.com> Date: Tuesday, May 25, 2010 18:36 Subject: [gmx-users] The components on potential energy To: gmx <gmx-users@gromacs.org>
> Hello, > > I would like to ask for some information about the potential energy term in > the log file after minimization. I have used the OPLS-AA forcefield to > conduct minimization. I understand that it is the addition of a group of > energy terms (bond energy, angle, LJ ect..) however, I do not know the > individual components that make up potential energy term. Your question is unclear. Some such components are listed in the .log file, others are available with g_energy on the .edr file. If you don't know what they mean, start by reading the relevant manual sections. Mark -- 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/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/mailing_lists/users.php
