<div><br></div>Hi, Natalie,<div><br></div><div>Obviously, number of coordinates still doesn't match the topology file even you updated the topol.top *carefully*.</div><div>Check the topol.top thoroughly or paste several line of your coordinate and topology files may be good ideas.</div>
<div><br></div><div>Note that the topology file is lacking information for *28* atoms. Does that number remind you anything?</div><div><br></div><div><br></div><div>Terry<br><br><div class="gmail_quote">On Wed, Sep 22, 2010 at 6:42 PM, Natalie Stephenson <span dir="ltr"><<a href="mailto:Natalie.Stephenson@postgrad.manchester.ac.uk">Natalie.Stephenson@postgrad.manchester.ac.uk</a>></span> wrote:<br>
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<div>Hi everyone,<br>
<br>
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' ...<br>
<br>
number of coordinates in coordinate file (nrr_solv_ions.gro, 33181)<br>
does not match topology (topol.top, 33153) <br>
<br>
I've been updating the topol.top file every time I've done something, so I'm not really sure what's happened.
<br>
<br>
Can anyone throw some light on what I've gone wrong!! <br>
Thanks loads!<br>
Natalie<br>
</div>
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