[gmx-users] gen_vel

Mahboobeh Eslami mahboobeh.eslami at yahoo.com
Wed Nov 27 05:48:59 CET 2013


Hi Dear Gmx Users,
Do not just following procedure can be usedby gen_vel:

NVT   gen_vel = yes 
          gen_temp=300
          gen_seed=-1
NPT   gen_vel=no
MD    gen_vel=no
 
i want to study the changing of velocity in md stage. Can I use the following method:


NVT   gen_vel = yes
          gen_temp=298
          gen_seed=-1
NPT   gen_vel=no
MD    gen_vel = yes 
          gen_temp=298
          gen_seed=-1


More information about the gromacs.org_gmx-users mailing list