[gmx-users] Protein-Protein distance

Life Sciences Inc contact.lifesciences.inc at gmail.com
Tue Jan 5 07:18:23 CET 2016


Dear Gromacs Users

Kindly let me know how to calculate the protein protein distance as a
function of time with gromacs. I want to calculate the distance based on
the center of mass of the selection which is CA atoms. I have 4 proteins in
the system and want to calculate the distances as distance between Protein
1 and Protein 2, then Protein 1 and Protein 3 , then Protein 1 and Protein
4.


I used gmx mindist command but it cannot be used to calculate distance with
center of mass, I tried gmx distance also, but do not know how to use it
for my above mentioned purpose.

Hope to get some help.

Thank you all.


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