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

Justin Lemkul jalemkul at vt.edu
Thu Jan 18 14:48:14 CET 2018

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 A. Lemkul, Ph.D.
Assistant Professor
Virginia Tech Department of Biochemistry

303 Engel Hall
340 West Campus Dr.
Blacksburg, VA 24061

jalemkul at vt.edu | (540) 231-3129


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