[gmx-users] g_confrms

Ankita naithani ankitanaithani at gmail.com
Sun Sep 16 16:10:51 CEST 2012

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?

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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Ankita Naithani

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