[gmx-users] protein mass center

[Justin A. Lemkul]

Sajad Ahrari wrote:
> hi dear users
> is there any command in gromacs to determine mass center of a protein? I 
> mean to find out witch atom or residue stands for mass center.

No, but you can use g_traj -com to extract the coordinates of the center of 
mass.  From there, you can probably determine which residue is closest.

-Justin

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Justin A. Lemkul
Ph.D. Candidate
ICTAS Doctoral Scholar
MILES-IGERT Trainee
Department of Biochemistry
Virginia Tech
Blacksburg, VA
jalemkul[at]vt.edu | (540) 231-9080
http://www.bevanlab.biochem.vt.edu/Pages/Personal/justin

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