Hi everyone,
I have a dual topology file created by tleap for TI calculation. However,
the box dimension in the pdb is not passed into the new dual topology. Is
there a way add a specific box dimension?
I tried solvatebox and setbox with 0A but the dimension is always off by a
few A in a ~50A box.
I hope there is someone who has managed to solve it in the past.
Regards,
Simon
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Received on Sun Aug 05 2018 - 10:00:02 PDT
