[gmx-users] constraints on angle

[Junior Nebeker]

Hey mark,

If you are really sick of asking people for such information, why do you
even care to respond to this mailing list?



On Thu, Aug 18, 2011 at 3:43 PM, Mark Abraham <Mark.Abraham at anu.edu.au>wrote:

> On 19/08/2011 1:22 AM, Nilesh Dhumal wrote:
>
>> Hello,
>>
>> How can I put constraints on an angle.
>>
>> I added following lines in .top file
>>
>> [ constraints ]
>>
>> 2   8   18  3   109.5
>>
>> But its giving error.
>>
>
> Get in the habit of copying and pasting the error. Curiously enough, it
> usually contains diagnostic information that is useful and we get sick of
> asking people to provide information about the problem with which they want
> free help. :)
>
> Consult Table 5.6 - you will see that this is not a legal construct for
> [constraints]. As Tsjerk said, you need to use a triangle of constraints to
> constrain a single angle.
>
> Mark
>
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