[gmx-users] [gmx-user] 300K vs 310K for molecular dynamic simulation

Hi Which temperature should be used for molecular dynamic simulation of a human protein? If we used 300K would that give significantly different results from 310K MD simulation? Some argue that since human body temperature is around ~310K MD should be done at 310K. However I saw many papers that h

[gmx-users] conveniently placing restraints on a subset of a molecule

Hello, I am new to the gromacs work flow, I come from using NAMD. An example of what I want to do is place harmonic restraints on a subset of a molecule, for example all of the CA atoms in a protein backbone. I have found the genrestr function which I would have expected would do the trick. Howe