On 5/4/20 11:46 PM, azadeh kordzadeh wrote:
Hi
Thank you very much for your answer to my former question
I want to select CYSH state but we have this option for this amino acid.
already I could determine especial state for his,lys,arg,asp by command -his
but this command doesn't work for CYS
Deprotonated (anionic) Cys is treated as a special residue by all force
fields, usually something like CYM because it is not normally considered
a titratable amino acid. Check the force field .rtp file and adjust the
residue name accordingly.
-Justin
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==
Justin A. Lemkul, Ph.D.
Assistant Professor
Office: 301 Fralin Hall
Lab: 303 Engel Hall
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