Dear Amber users,
I have coordinates of a pre-equilibrated protein in a truncated octahedral
box.
After a minor modification of the PDB file, I prepared the TOP and CRD files
with setBox options using leap.
Then I modified the box information in the TOP file and the bottom of the
CRD file to get truncated octahedral box.
Now I am getting a strange water box which is not even a rectangular or
truncated octahedral box.
Is there a way to solve this problem?
--
Best wishes,
Myunggi Yi
==================================
KLB 419
Institute of Molecular Biophysics
Florida State University
Tallahassee, FL 32306
Office: (850) 645-1334
http://sites.google.com/site/myunggi/
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Received on Mon Jul 06 2009 - 08:44:51 PDT
