[gmx-users] Energy minimisation problems - coordinate file and topology file not matching.

[Natalie Stephenson]

Hi everyone,

I was hoping you could clear up a problem I'm having when performing energy minimisation.  I'm following the instructions from one of the tutorials (Justin's Umbrella Sampling) with my own protein, however, this time when I try to perform the energy minimisation it throws out this 'fatal error message' ...

 number of coordinates in coordinate file (nrr_solv_ions.gro, 33181)
             does not match topology (topol.top, 33153)

I've been updating the topol.top file every time I've done something, so I'm not really sure what's happened.

Can anyone throw some light on what I've gone wrong!!
Thanks loads!
Natalie
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