[gmx-users] Energy constraints and belly dynamics

Shankar Prasad Kanaujia spk at rishi.serc.iisc.ernet.in
Fri Apr 7 07:03:04 CEST 2006

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 ?
Shankar Prasad Kanaujia
Ph.D Student
Bioinformatics Center, Department of SERC
IISc, Bangalore - 12
Mobile: 9845631581

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