[gmx-users] constraining protein in the box

Shine A shine.a at iisertvm.ac.in
Tue Dec 10 18:31:56 CET 2013


    I completed a 400 ns MD simulation. But in some part of the trajectory
my protein is just out side the box I selected (triclinic). Is there any
option in gromacs to constrain my protein in box during simulation.

Thanks in advance ..........

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