Dear Sir
wish you are fine !
I have a pdb file consists of four identical peptides and I want to
simulate them together. However Amber can not detect many atoms with
similar names or similar residue number. I have tried to change the atoms
names or the residues names but xleap has many problem with this and some
structure deformation happened . what exactly should I change to save the
structures without xleap fatal errors .
Thanks
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Received on Tue Oct 13 2015 - 11:30:03 PDT
