[gmx-users] producing several trajectories to check for reproducibility

Saman Shahriyari samanshahriyari at yahoo.com
Sun May 25 13:54:44 CEST 2014


dear users
I am trying to have several trajectories for one simulated  system to check if my results are reproducible or not. should I be making several .tpr files with the same pdb file or is there any way I can have several random seeds for the mud run command? i mean is there any way i can do the mdrun once and have several trajectories generated?
regards,
Saman


More information about the gromacs.org_gmx-users mailing list