Hi Abinaya,
See this page: http://ambermd.org/formats.html#restart
That should answer all your questions.
(XYZ coordinates of 2 atoms are listed on one line, giving 6 numbers.)
--Marc
On 7 February 2012 09:25, <abinayar.imsc.res.in> wrote:
>
>
> Dear amber users,
>
> These are the first few lines of my .inpcrd lines.Could someone tell me
> what each column indicates here.
> And although the first line says 4589(does this number indicate the number
> of atoms?), the number of lines in the .inpcrd file is only 2297.
>
> 4589
> -22.2100000 40.5140000 15.8880000 -21.9540810 41.3926254 16.3153451
> -23.0154219 40.1410333 16.3699666 -22.2326524 40.6350322 14.8855342
> -21.1130000 39.5390000 16.1420000 -21.5032671 38.6888156 16.7014437
> -20.5150000 39.0260000 14.8230000 -21.3299517 38.5795617 14.2532229
> -20.1296573 39.8930754 14.2865382 -19.3950000 37.9980000 15.0020000
> -19.0847965 37.6485923 14.0172214 -18.5538860 38.4844926 15.4959172
> -19.9280000 36.5870000 15.9910000 -18.3730000 35.7920000 16.4230000
> -17.7520442 36.4889923 16.9857740 -18.5720569 34.9102012 17.0320220
> -17.8514352 35.4944568 15.5133080 -20.0170000 40.1800000 16.9980000
> -19.7940000 41.3850000 16.9280000 -19.3270000 39.3530000 17.7780000
> -19.5357322 38.3648333 17.7704659 -18.2980000 39.8350000 18.6910000
> -17.9997508 40.8525452 18.4385156 -18.8720000 39.8320000 20.1010000
> -19.7762688 40.4400164 20.0742942 -19.1324343 38.8055976 20.3594030
>
> Thanking you,
> Abinaya Raju
>
>
>
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Received on Tue Feb 07 2012 - 02:00:03 PST
