Dear all,
I have a graphene oxide structure having repitition of a
pattern. I am able to create resp charge from pyred server and
topology file for a single unit. But we use this topology file for big
repetitive structure in tleap, it will produce error. Then I create a
pdb file for the large unit adding hydrogen atom, but this pdb file
can not able to give mol2 file with resp charge using red server.
what would be the procedure to get the topology file for large
graphene oxide sheet.
Here I am attaching both the smail and big pdb files og graphene oxide.
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Received on Wed Mar 16 2016 - 03:30:02 PDT
