[gmx-users] [Fwd: TFE 33%]

Mark Abraham Mark.Abraham at anu.edu.au
Sun Feb 18 00:56:40 CET 2007

> i've been dealing with a simple simulation
> using a TFE & SPC for my solvent box but i stopped every time at the
> (steep or em.mdp) stuff all the time. It send me this message: number of
> coordinates in coordinate file does not match topology ( xxxx.pdb, top
> 0) !!!! what should i do to over this step? do i need to change xxxx.top
> file whith something? or the error backs to the steep or em.mdp stuff?
> Thanks

Please describe your problem fully... "at the (steep or em.mdp) stuff" 
doesn't help anybody work out your problem, and makes them not want to 
help you. When you want free help, you have to work at making it easy 
for someone to give it to you. If you're paying them, then do whatever 
you like :-)

Nonetheless, it is clear that you have made an error with the formatting 
of your .top file. Read chapter 5 carefully and then see where your .top 
file doesn't satisfy the format described. Alternatively, start again 
with a .top file that does work for just water, and work in the TFE again.


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