[gmx-users] six member ring won't stay flat
jalemkul at vt.edu
Thu Jan 18 15:05:41 CET 2018
On 1/18/18 9:04 AM, MD wrote:
> 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
>> 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, 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?
You need to be looking at the CHARMM files, not GROMACS files.
Justin A. Lemkul, Ph.D.
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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