On 2/19/18 5:55 AM, sp...@iacs.res.in wrote:
Hii all
I have prepared the topology file for urea molecule in AMBER99sb-ildn
force
field taking the parameters from ffbonded.itp and ffnonbonded.itp
available in AMBER folder. After simulation the urea molecule is somewhat
distorted. The N-H bond is tilted. Please suggest me how to solve this
problem.
What does "tilted" mean and why do you think it's a problem? The
molecule won't remain exactly planar all the time.
-Justin
--
==
Justin A. Lemkul, Ph.D.
Assistant Professor
Virginia Tech Department of Biochemistry
303 Engel Hall
340 West Campus Dr.
Blacksburg, VA 24061
jalem...@vt.edu | (540) 231-3129
http://www.biochem.vt.edu/people/faculty/JustinLemkul.html
==
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