<div dir="ltr"><div>Hi, gmx-users</div>
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<div>i want to use gromacs to pull a small ligand through a protein channel and study the interaction between the ligand and the protein during this process. However, i have not found out any useful information about steered molecular dynamics(SMD) using Gromacs software.</div>
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<div>What are the differences between SMD and general MD in using Gromacs and how to set up the related parameters?</div>
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<div>Thanks a lot.</div>
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<div>Dove. </div></div>