[gmx-users] using position restraints

[Anton Feenstra]

Sichun Yang wrote:

> hi Ken,
> 
> Just share my experiment,
> since you have define = -DPOSRE,
> make sure you used the corrent setup in your topology file
> (note ifdef POSRE, no the default POSRES)

Alternatively, remove the #ifdef altogether and only keep the #include line.
You can also check with g_energy if there is a (non-zero) position restraints
energy term.


-- 
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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