AMBER Archive (2007)

Subject: AMBER: distance.restraint for two groups of atoms (center of mass)

From: Catein Catherine (askamber23_at_hotmail.com)
Date: Fri May 11 2007 - 21:30:36 CDT

Dear Sir/Madam,

I am interest to do the distance restraint for two groups of atoms using
their center of mass. It is the way I set the distance.restraint file.
However, it did not work properly. Could you please kindly teach me what's
wrong here?

===========================================================

# distance restrainst for group 1 (atom 122-150) and group 2 (atom 151 to
169)

&rst iat=1,2, r1=0.0, r2=5.0, r3=5.0, r4=50.0, rk2 =30.0, rk3 = 30.,
igr1(122/150), igr2(151/169), ir6=0 /

===========================================================

I tried several times, but I still did not works.

Best regards,

Cat

===========================================================

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