[gmx-users] fix COM

Mark Abraham mark.j.abraham at gmail.com
Mon Feb 22 14:23:54 CET 2016


On Mon, Feb 22, 2016 at 2:10 AM Ming Tang <m21.tang at qut.edu.au> wrote:

> Thank you Mark,
> Could you please help to give more instructions on how to generate
> restraints on a centre of mass virtual site? I know genrestr can implement
> restraints, but I have no idea how to set a virtual site.

No, because I've never done it, but I would start by looking in the
reference manual for the description of such vsites.

BTW:  is the latest version suitable for mpt 2.13?  it seems that version
> 5.0.4 does not work.

Please start new email threads for new topics. What is mpt anyway?


> Thanks,
> Ming
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