On Tue, Jul 19, 2022, Saranya vasudevan via AMBER wrote:
>Yeah i need the perfect pdb structure with space groups included.
Check the "sg" (spacegroup) option, section 30.10.5.1 in the 2022 Reference
Manual. This allows you to specify the space group in PDB output. (Note
that you need to know what it is -- probably "P 1" for most Amber
simulations.)
...hope this helps...dac
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Received on Thu Aug 04 2022 - 13:35:07 PDT
