| 9:53:59 AM PDT - Fri, Oct 12th 2012 |
|
Quote:Marat Jun 9th 5:16 pmCan you run prepare without adding counterions and see if Mg positions are shifted. If it is the case then it is probably formatting problem in your pdb file. I could take a look at it but would need your files.
Dear Marat,
I have the same problem as well: I need the MG2 ion at the binding site as it is in my original pdb file but the prepare command changes its location. Would you please let me know how I can fix it.
Best,
Hassan.
|