[gmx-users] Can I compare the force of pulling process?

Jinzhi Tan jztan at mail.shcnc.ac.cn
Tue Mar 29 05:12:22 CEST 2005

Dear gmx-users:

When I tried to use steered MD to study my proteins, I encountered some problems. I have one protein with two different conformations. The ligands in the two conformations are also similar but different in details. So the two systems are not the same because the total number of the atoms (including protein, ligand and solvent)are different. My question is can I compare the pulling force between the two systems? I am not sure which factors can affect the value of the pulling force. Any suggestion will be greatly appreciated.

Best regards,

Lily Tan
Chinese Academy of Sciences
Shanghai 201203, China
Tel:   +86-21-50806600-1201

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