[gmx-users] six member ring won't stay flat

[Justin Lemkul]

On 1/18/18 8:46 AM, MD wrote:
> I have a question related to charmm. Does charmm have a name/structure
> chart for all the parametrized molecules? I want to borrow some parameters
> info from those molecules but often I can't quickly figure out what they
> are.

Not in one places, but every CHARMM RTF and stream file contains an 
ASCII drawing and full name of every species in the residue entries.

-Justin

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Justin A. Lemkul, Ph.D.
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Virginia Tech Department of Biochemistry

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