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

aixintiankong aixintiankong at 126.com
Sun Apr 21 15:47:36 CEST 2013

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 A. Lemkul, Ph.D.
>Research Scientist
>Department of Biochemistry
>Virginia Tech
>Blacksburg, VA
>jalemkul[at]vt.edu | (540) 231-9080

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