[gmx-users] position restrain energy in stochastic dynamics

[Anton Feenstra]

Xavier Periole wrote:
> ]> In the prsd.mdp, I used "define = -DPOSRE". So I think I should have
> 
> 
> I think it is -DPOSRES and not -DPOSRE. Could it be the reason ??

Check the .top file, there should be either
#ifdef POSRE
or
#ifdef POSRES
This label must match that on the defines = -D<whatever> line in your .mdp.


-- 
Groetjes,

Anton
  _____________ _______________________________________________________
|             |                                                       |
|  _   _  ___,| K. Anton Feenstra                                     |
| / \ / \'| | | Dept. of Pharmacochem. - Vrije Universiteit Amsterdam |
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