[gmx-users] About the removal of the center of mass
xnzgxj at gmail.com
Wed Feb 22 02:09:06 CET 2012
Many thanks, can you tell me the reason? becuase I see in the old
manual, there said "if there is fixed part in the system, then you can
not use the removal of the center of the mass."
2012/2/21, Yang Ye <leafyoung at yahoo.com>:
> yes. you need to and can still put System for the removal group.
>> On Feb 21, 2012 5:51 PM, "xiaojing gong" <xnzgxj at gmail.com> wrote:
>>> Dear all,
>>> I used the GMX 4.5.5 to run a simulation with a fixed plane and
>>> I wonder to know if I fix the plane, shall I use the command of
>>> the removal of the center of mass for water? I will appreciate it if
>>> you will share your opion.
>>> Many thanks
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