Re: [gmx-users] initial velocities Langevin dynamics

Dear Mark and Oscar, Thanks for your help! I checked the velocity distribution and the velocity at different simulation frames. As you said the initial velocities are all set to zero and at the next step are already changed, I also guess by the random thermal noise. Thus, my idea of simulating

Re: [gmx-users] initial velocities Langevin dynamics

o generate velocity. Thus I am a bit confused about it! loris... In message <49b792a4.3070...@anu.edu.au> Discussion list for GROMACS users writes: > Loris Moretti wrote: > > Hello everybody, > > > > Sorry to post again the same question but I've got no answer so

[gmx-users] initial velocities Langevin dynamics

Hello everybody, Sorry to post again the same question but I've got no answer so far. I have a technical question, it might be silly but I couldn't find an answer so far. How are assigned the initial velocities for the particles when Langevin dynamics is performed? In normal MD the gen_vel/gen

[gmx-users] initial velocities Langevin dynamics

Hi there, I have a technical question, it might be silly but I couldn't find an answer so far. How are assigned the initial velocities for the particles when Langevin dynamics is performed? In normal MD the gen_vel/gen_seed are used for random generation of the initial velocities. I am used to