[gmx-users] how to constrain the distance between two dummy atoms

[Anton Feenstra]

$B%3%& wrote:

> hello:
> i want to constrain the distance between two dummy atoms and i defined 
> it in the .top file with
> [ constraints ]
> ,dummy 1 dummy2 2 distance
> then i go to creat a .tpr file but an error occoured that is Cannot have 
> constraint 1 2 with dummy atom  how can i do it ?
> regards                                                                    

You cannot. It is not implemented. You could define a harmonic bond interaction,
but be sure it does not get converted to a constraint by grompp.


-- 
Groetjes,

Anton
  _____________ _______________________________________________________
|             |                                                       |
|  _   _  ___,| K. Anton Feenstra                                     |
| / \ / \'| | | Dept. of Pharmacochem. - Vrije Universiteit Amsterdam |
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| \_/ \_/ | | | Tel: +31 20 44 47608 - Fax: +31 20 44 47610           |
|             | Feenstra at few.vu.nl - www.few.vu.nl/~feenstra/         |
|             | "If You See Me Getting High, Knock Me Down" (RHCP)    |
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