[gmx-developers] topology and bfact problem

Berk Hess hessb at mpip-mainz.mpg.de
Fri Feb 9 12:10:04 CET 2007

Martin Höfling wrote:

>Hi all,
>sth is wrong with this construct:
>top is:
>t_topology top;
>and already initialized, at least calculations based on the read out mass is 
>working. Do i need to initialize the pdbinfo separately?
>	Martin
pdbinfo is only initialized an used when reading pdb files by some programs.
It is not stored in a tpr file.
Depending on which program you are modifying, you might have to allocate 
it separately.


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