Hi all, I'm simulating with zinc finger protein NMR structure (PDB ID: 2JUN).
In this protein, only deprotonated HIS and CYS are placed with zinc ions. So, we tried with AMBER03 force field which has deprotonated CYS as CYM. But I couldn't find about deprotonated HIS in ffamber03.rtp file. Could anyone plz tell me how to use deprotonated HIS? Thank you all -- Thanks & Regards, Yuno Lee, Master of Science --------------------------------------- Technical Research Personnel Computational Biology & Bioinformatics Lab (CBBL) Environmental Biotechnology National Core Research Center (EB-NCRC) Department of Biochemistry and Division of Applied Life Science (BK21 program), Gyeongsang National University (GNU) 900 Gazwa-dong, Jinju, 660-701 Korea Email: [email protected], [email protected] Homepage: http://bio.gnu.ac.kr/~youknow ---------------------------------------
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