[gmx-users] The energy minimization....
mark.abraham at anu.edu.au
Thu Aug 16 05:53:19 CEST 2007
> Hi, everyone:<br />I have meet some problem when simulating a protein and
> ATP complex. The energy minimization will stop after 14 steps. I had
> followed Mark's suggestion, did the protein and ATP eneryg minimization
> independently, and  found that the protein can finish its
> minimization correctly, but  the  ATP 's minimization stopped
> after 14 steps. So it seems that there are something wrong with ATP. And
> Mark also said "Probably your topology is broken", what is it
> means? What should I do now?
If you're going to quote somebody from here
imply that they made the comment in relation to another post entirely
(unless you're trying to annoy them, that is).
I replied to the above question on the list yesterday here
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