[gmx-users] Using editconf to center on 0 0 0 , then using genbox
ababakha at mccammon.ucsd.edu
Wed Aug 8 22:17:20 CEST 2007
I'd like to have my structure centered on 0 0 0 .
The solvated structure is completely off. My protein is at the center,
but the solvation shell is way off center.
I just dont understand why genbox isn't recognizing the previous editconf
Ok, I'll try solvating first then using editconf.
> Arneh Babakhani wrote:
>> I'm using editconf to center my sytem about the origin (0 0 0). No
>> problem there.
>> But then when I use genbox to solvate the resulting structure, the
>> is offset (not centered about 0 0 0). Is there a way to correct this?
> Have you tried editconf on the solvated structure? Why does it matter
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