[gmx-users] g_confrms

Mark Abraham Mark.Abraham at anu.edu.au
Sun Sep 16 16:16:28 CEST 2012

On 17/09/2012 12:10 AM, Ankita naithani wrote:
> Hi Mark,
> I haven't been able to figure out the reason of the difference between
> the two structures. When I prompt for my backbone to be fitted against
> each other, the initial structure has 2965 elements and the final
> output file has 2955 elements. Could you please suggest the possible
> reason for the difference?

Somewhere between "initial" and "final" you changed the composition. 
Only you know what what those states were and what you did between them :-)


> On Sun, Sep 16, 2012 at 3:03 PM, Mark Abraham <Mark.Abraham at anu.edu.au> wrote:
>> On 16/09/2012 11:49 PM, Ankita naithani wrote:
>>> Hi,
>>> I am trying to use g_confrms to compare my initial and final structure
>>> and fit them on their backbone. However, I notice a difference of 10
>>> atoms in both of these structures and so I am unable to use g_confrms.
>>> Can anyone please help me and advice me regarding this as the manual
>>> does mention about using g_confrms irrespective of the number of
>>> atoms.
>> Why are the two things you are trying to compare not the same?
>> Mark
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