RE: [gmx-users] REMD vs MD

Hi, well I guess it depends on what models you mean... REMD is a technique to enhance the conformational sampling. So if you have a e.g. a protein that is disordered or has large disordered parts. Using REMD several copies of the same system are simulated, each replica at a different temperatu

[gmx-users] Steered MD in gromacs

Dear all, I am just starting MD simulations and wanted to see how to perform steered molecular dynamics in gromacs . Most papers and tutorials that I found were done in NAMD. Can anyone recommend examples that were done in gromacs? In my case the tutorial " Pull Code and Umbrella Sampling"