[gmx-users] how to deal with protein rotation

Jinzhi Tan jztan at mail.shcnc.ac.cn
Tue May 20 10:39:01 CEST 2003

I define the comm_grps is protein. when I equilibrate the system containing protein and water, the protein rotate along the com. I must make a bigger box, otherwise the protein will extend out of the water. I wonder if I can remove the rotation of the protein. How can I do? Thank you very much!


More information about the gromacs.org_gmx-users mailing list