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Improper parameters of phenol
#37374 03/14/19 09:13 AM
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I need improper parameters of phenol. I was looking for those parameters in par_all36_cgenff.prm file. But I could not find that there. So if someone can give me those parameters or suggest me any article or file where I can find them that would be very helpful.

Re: Improper parameters of phenol
Debopriya #37377 03/14/19 10:21 AM
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Impropers are defined in the RTF, keyword IMPR, and phenol does not use any improper parameters in CHARMM


Lennart Nilsson
Karolinska Institutet
Stockholm, Sweden
Re: Improper parameters of phenol
Debopriya #37382 03/15/19 03:59 AM
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Okay, thank you so much.


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