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

MD refmac5 at gmail.com
Thu Jan 18 15:04:34 CET 2018


On Thu, Jan 18, 2018 at 8:48 AM, Justin Lemkul <jalemkul at vt.edu> wrote:

>
>
> 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
>

​Justin, the CHARMM forcefield I downloaded has a folder of files including
merged.rtp, ffbonded.itp... but I didn't see any rtf file or any file that
has ASCII drawings. I am sure I am missing something obvious here. Do you
mind giving me a quick link/example please?
Thanks,
Ming

>
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