[gmx-users] Re:gmx-users Digest, Vol 108, Issue 130
aixintiankong at 126.com
Sun Apr 21 16:57:08 CEST 2013
i really need you help and i will wait for your help !
thank you very much!
At 2013-04-21 21:47:36,aixintiankong <aixintiankong at 126.com> wrote:
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:
>> 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.
>Department of Biochemistry
>jalemkul[at]vt.edu | (540) 231-9080
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