[gmx-users] make_ndx and assigning velocities

Ali Khodayari ali.khodayari at student.kuleuven.be
Mon Nov 26 16:59:56 CET 2018


Dear Gmx users,

 

I have two questions. 

 

I am wondering how I can assign residues from different chains to one single
index group? Say, residues 50 to 70 of first chain and residues 120 to 140
of the second chain.

 

Secondly, how can I assign velocities to certain groups? For instance, to
restrain the positions of one group (V = 0) and to assign a certain velocity
(V ~= 0) to another group?

 

Thank you for your help.

 

Kind regards,

Ali 



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