[gmx-users] electrostatic and LJ energy

You can use gmx energy (g_energy). Follow the online manual at http://manual.gromacs.org/documentation/2018/onlinehelp/gmx-energy.html Regards -- Tushar Ranjan Moharana B. Tech, NIT Warangal Ph D Student, CCMB -- Gromacs Users mailing list * Please search the archive at http://www.gromacs.org

Re: [gmx-users] doubt regarding order parameter calculated by gmx chi S2max and S2min

Dear Mario, You can calculate NH order parameter (or any other bond order parameter) by following method https://extras.csc.fi/chem/courses/gmx2007/analysis/ However I was curious about gmx chi which was supposed to give dihedral order parameter. -- Gromacs Users mailing list * Please search the

[gmx-users] doubt regarding order parameter calculated by gmx chi S2max and S2min

Hi Everyone, Is the S2max and S2min produced by gmx chi is same as Ss (slow order parameter)and Sf (fast order parameter) respectively. If not may anybody please explain what are those (S2max and S2min). Thanks a lot. Sincerely Tushar -- Gromacs Users mailing list * Please search the archive at

[gmx-users] download GROMOS54a6oxy

Hi all, I wish to use GROMOS54a6oxy forcefield parameterized by Horta et. al. However, I am unable to find any link to download the same. It will be a great help if any one send me the link or the forcefield. Thanks a lot. Tushar -- Gromacs Users mailing list * Please search the archive at htt