Dear all: could you tell me how to correctly build the top and prm of cellulose II by using the glycam-06h force field? I had used the experimental crystal data to build a cellulose II unit cell and exported it through Material Studio with the pdb and cif format, as I learn from the Help for glycam-web, I changed sequence of C1 C2 C3 C4 C5 C6 O1 O2 O3 O4 H....in each glycose the same as the force field describes and I had the name, for example, 4GB, ROH 0GB to each atom, however, it can't be read correctly in the tleap terminator, I really need you help! yours sincerely.Can leng
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Best wishes !
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Email:lengcan276lc.sina.com
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Received on Thu Sep 12 2019 - 18:30:02 PDT
