[gmx-users] position restraints

[Xavier Periole]

Pedro Alexandre Lapido Loureiro wrote:

>Thank you David and Xavier for your replies!
>
>In fact, my system is a non-protein one (128 lipids + water + restrained 
>molecule).
>I was able to circumvent the problem changing the order of the molecules (now, 
>molecule + lipids + water).
>
>Regards.
>
>Pedro.
>  
>
What you did is equalling the numbering of your molecule isolated and
the molecules within the whole system.

XAvier

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   Xavier Periole - Ph.D.

   Dept. of Biophysical Chemistry / MD Group 
   Univ. of Groningen
   9747 AG Groningen
   The Netherlands

   Tel: +31-503634329
   Fax: +31-503634800
   email: x.periole at chem.rug.nl
   web-page: md.chem.rug.nl/~periole
   
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