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From: nahren manuel (meetnahren_at_yahoo.com)
Date: Fri Jul 29 2011 - 09:44:38 CDT
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Dear VMD users,
I want to restrain two atoms.A(index 6, OL) and B(index 17, NR).
ATOM 1 CL ALA 1 16.626 18.862 20.798 1.00 1.00
ATOM 5 CLP ALA 1 17.760 19.029 19.867 1.00 0.17
ATOM 6 OL ALA 1 17.642 19.725 18.875 1.00 1.17
ATOM 14 HB3 ALA 1 19.962 17.574 17.698 1.00 28.91
ATOM 15 CRP ALA 1 20.897 19.618 19.502 1.00 0.15
ATOM 16 OR ALA 1 21.893 19.687 20.187 1.00 1.63
ATOM 17 NR ALA 1 20.489 20.661 18.782 1.00 0.77
I move atom 6 to origin using
$sel moveby "-17.642 -19.725 -18.875"
ATOM 5 CLP ALADX 1 -0.700 0.540 -0.850 0.00 0.00
ATOM 6 OL ALADX 1 0.000 0.000 0.000 0.00 0.00
ATOM 15 CRP ALADX 1 -4.070 -1.100 -0.090 0.00 0.00
ATOM 17 NR ALADX 1 -4.200 -2.080 0.850 0.00 0.00
I want translate the above to have somethings like (irrespective of coordinates of other atoms)
ATOM 6 OL ALADX 1 0.000 0.000 0.000 0.00 0.00
ATOM 17 NR ALADX 1 x.xxx 0.000 0.000 0.00 0.00
So that I can apply restraint between the atoms 6 and 17 along X-axis.
Best regards,
nahren
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