Hi everyone
According to OPLS-AA force field, I want to complete section of [
dihedraltypes ] in ff… bon.itp between 4 atoms (carbonyl C , Benzene
C , Benzene C , Benzene H ) and also (carbonyl C , Benzene C ,
Benzene C , Benzene C )for the structure of Benzoic acid . Can you
help me? Thank you
Hi,I want to simulate a finite nono-tubes.Does nonotube be flexible or
rigid?which is better?thanks
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