Dear amber users
Hello.
I am trying to create a box with DMSO/MeCN as a solvent.
but I can not. Does anyone know how it is possible to create cyclic
peptides with a DMSO box in amber 22?
I tired these commands but they did not work.
>set <solvent unit> restype solvent
>set <solvent unit> vdw
>solvatebox <peptide unit> <solvent unit> n
Thank you and I am looking forward to hearing from you.
Kind regards
Sepideh
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Received on Sun Oct 22 2023 - 04:30:03 PDT
