[gmx-users] Re: Non-equilibraium MD: simulating a moving

[Hu Zhongqiao]

I am not sure if it works. You can try to put your system into two
frozen layers which will exert a resisting force on the wall. You still
need to put an acceleration on the wall. But after a steady state is
reached, you will see the wall will move approximately at a constant
velocity.

 

Best wishes,

Zhongqiao

 

 

 

>Hi and thank you! This cleared the situation. I didn't care about
comm-mode but only set comm-grps...

 

>And let me one more question. Is there any possibility to define a
constant velocity of my rigid wall, not an acceleration?

 

>Vitaly

 

>>Hi, have you set comm-mode = None? If no, you can set it and try
again.

 

 

-------------- next part --------------
An HTML attachment was scrubbed...
URL: <http://maillist.sys.kth.se/pipermail/gromacs.org_gmx-users/attachments/20090324/f53823d6/attachment.html>