[gmx-users] Pulling COM option

[Angela Marcela Murcia Rios]

Hi,


I'm not really intersected in the information that the Pulling COM option provides. I am really just interested in getting my protein move in a specific direction until it completes a full circle.


To be more specific my system is F1 ATPase and I just want to pull the gamma subunit until it it completes a full circle. I am completely aware that there is an "enforced rotation" option on GROMACS but this is a torque force, which I don't want to use.



________________________________
From: gromacs.org_gmx-users-bounces at maillist.sys.kth.se <gromacs.org_gmx-users-bounces at maillist.sys.kth.se> on behalf of Nikhil Maroli <scinikhil at gmail.com>
Sent: June 13, 2017 1:03:03 PM
To: gromacs.org_gmx-users at maillist.sys.kth.se
Subject: Re: [gmx-users] Pulling COM option

Hi,
Out of curiosity, i wanted to ask you what information you will get by rotating
protein by 360 degrees.?
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