[gmx-users] Two pair_styles for same atomtypes

Hi Gromacs-Users, Is it possible to use more than one pair potential on one atom type in gromacs? If it possible please let me know the process and corresponding information. Thanks, Sudip Das PhD Student C/o. Prof. S. Balasubramanian Molecular Simulations Lab Chemistry and Physics of

[gmx-users] Coulomb-14 Energy

Thank you Mark and David for your kind responses. > Den 2018-04-24 kl. 15:49, skrev Mark Abraham: >> Hi, >> >> There is no physical meaning to this decomposition. There is nothing to >> justify. >> >> The total energies are different for each system, too. How would you >> justify that? They're

[gmx-users] Equilibration step in MD

Dear all, The rmsd obtained after equilibration of protein-protein complex at 1atm pressure is quite high(5times) but the rmsd obtained for only 100ps simulatrion of equilibration is quite stable. Which rmsd should be considered? -- Best regards, *Shyantani Maiti* -- Gromacs Users mailing list