[gmx-users] Re:Re:gmx-users Digest, Vol 108, Issue 130

[aixintiankong]

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 <aixintiankong at 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
>
>========================================