[gmx-users] Regarding centering the molecule/protein during Simulation

Dilip H N cy16f01.dilip at nitk.edu.in
Mon May 29 07:29:33 CEST 2017

I have ran a md simulation of a amino-acid with solvent mixture. Now i view
the trajectory in vmd and see tht the amino-acid moves sometimes toward the
edge of the box,sometimes towards the corners and so on...
 Now how can i centre only the amino-acid to the centre of the box and rest
(ie.,solvent mixture) to move as it is..ie., if i view the trajectory in
vmd i want to fix only the amino-acid to be in centre,whereas the solvent
mixtures to move around during the trajectory...
How can i do this,...??

Thank you...

With Best Regards,

Ph.D Student

  <https://mailtrack.io/> Sent with Mailtrack

More information about the gromacs.org_gmx-users mailing list