Problem is solved!
kuljeet
On 5/25/2005, "kuljeets.igib.res.in" <kuljeets.igib.res.in> wrote:
>
>Dear friends,
>
>I have performed a MD simulation and want to view the final average
>strcture of the protein. Following is my avg.in file:
>
>========================================
>trajin umq_md2.mdcrd 33 38
>center :22-81
>image center familiar
>rms first mass out av_rms_umq.dat :22-81
>average umq_avg.pdb pdb
>========================================
>
>then I ran the ptraj..
>
>When I saw the file umq_avg.pdb, I got the following:
>
>ATOM 1 N LEU 1 ************************ 0.00 0.00
>ATOM 2 H1 LEU 1 ************************ 0.00 0.00
>ATOM 3 H2 LEU 1 ************************ 0.00 0.00
>ATOM 4 H3 LEU 1 ************************ 0.00 0.00
>ATOM 5 CA LEU 1 ************************ 0.00 0.00
>ATOM 6 HA LEU 1 ************************ 0.00 0.00
>ATOM 7 CB LEU 1 ************************ 0.00 0.00
>ATOM 8 HB2 LEU 1 ************************ 0.00 0.00
>ATOM 9 HB3 LEU 1 ************************ 0.00 0.00
>ATOM 10 CG LEU 1 ************************ 0.00 0.00
>
>.........................and so on.
>
>Although other things energy and rms plots are fine!
>Where I am wrong??
>
>Regards,
>Kuljeet
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Received on Thu May 26 2005 - 06:53:00 PDT
