[gmx-users] Reference group in COM pulling

[WT Ren]

Justin：
Thanks for your reply,
so if I want to compare the results from simulation to experiment‘s， should
I fixed the reference group?
moreover， if I fixed the reference group，do I need to remove the
restriction on the center of mass motion?

Weitong* Ren, PhD student*
Laboratory of Biophysics
Department of Physics
*Nanjing University*
Nanjing, Jiangsu, PR China
210093
tel : +86 025 8359 7226
*wtren at biophy.nju.edu.cn <wtren at biophy.nju.edu.cn>*

On Tue, Nov 25, 2014 at 8:31 PM, Justin Lemkul <jalemkul at vt.edu> wrote:

>
>
> On 11/25/14 3:33 AM, WT Ren wrote:
>
>> Dear all:
>>        Recently,  I'm using COM pulling to unfold a protein. So I'm
>> wondering how the gromacs deal with the reference group. Is the reference
>> group fixed, constrained or free?
>>
>
> Free, unless you do something to fix or restrain it.
>
> -Justin
>
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