On 16/08/13 15:00, Justin Lecher wrote:
> On 16/08/13 14:37, skinnersp wrote:
>> Hi Justin,
>>
>> That could indeed be the problem.
>>
>> Hence the best thing to do is take the difference between the upper and lower limit so in the example
>>
>> assign (resid 3 and name HB* ) (resid 3 and name HE1 ) 4.78 5.05 0
>>
>> would become
>>
>> assign (resid 3 and name HB* ) (resid 3 and name HE1 ) 4.92 0.14 0.14
>>
>> to give me an upper distance of 5.05 and a lower distance of 4.78, is that correct?
>>
>
> Hi Simon,
>
> I would it interpret as follows:
>
> lower: 0
> target: 4.78
> upper: 5.05
>
> so I would suggest:
>
> assign (resid 3 and name HB* )
> (resid 3 and name HE1 ) 4.78 4.78 0.3
>
of course it should be 0.27 instead of 0.3.
--
Justin Lecher
Institute of Complex Systems
ICS-6 Structural Biochemistry
Research Centre Juelich
52425 Juelich, Germany
phone: +49 2461 61 2117
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