[gmx-users] Energy constraints and belly dynamics

[Shankar Prasad Kanaujia]

Dear gromacs users,
I have two queries.
1. What are the energy values (in kcal/mol) for the constraints applied 
during protein simulations?
2. Is there any way to do belly dynamics in gromacs i.e. can we
restrain few residues around the ligand and constrain rest of the part ?
Thanks
Regards,
Shankar Prasad Kanaujia
Ph.D Student
Bioinformatics Center, Department of SERC
IISc, Bangalore - 12
Mobile: 9845631581