Dear Justin,
i really need you help and i will wait for your help ! i am a newer and there
anyone can help me , i hope the frames extracted from a MD can align. i
really don't know why this happen.
thank you very much!
At 2013-04-21 21:47:36,aixintiankong aixintiank...@126.com wrote:
Dear,
could you tell me more detailed about to extract frames from a MD to align.
i try the follow command,but it does not work,
trjconv -s topol.tpr -f traj.xtc -skip 10 -pbc nojump -sep.
could you tell me how to align all the frames with the first pdb file that was
extracted from traj.xtc ?
thank you for you help!
On 4/21/13 7:40 AM, aixintiankong wrote:
Dear,
i have extracted 1000 frames from MD.xtc file. i found the relative
postion of them is very diffrent . so i want to align them and keep them .
please help me
Please read trjconv -h.
-Justin
--
Justin A. Lemkul, Ph.D.
Research Scientist
Department of Biochemistry
Virginia Tech
Blacksburg, VA
jalemkul[at]vt.edu | (540) 231-9080
http://www.bevanlab.biochem.vt.edu/Pages/Personal/justin
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