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<div style="">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>
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