James Starlight wrote:
Mark, Justin,
Thanks for advises. Indeed I think that simple text editor would be
better sollution in my casw because of small number of restraints.
I just have a question about definition of the Distances
This is the default of the restraints between atom 10 and 16.
[ distance_restraints ]
; ai aj type index type’ low up1 up2 fac
10 16 1 0 1 0.0 0.3 0.4 1.0
I'd like to restrict distance between both of that atoms 7.96 <
r(Ca-Ca)< 8.41
I've found that the up1 is the 7.96 and up2 is the 8.41 but how I could
specify 'low' in the above table ? Should I obtain value for the initial
Ca-Ca distance between my residues from the initial structure? How I
could do it?
See Figure 4.13 and equations 4.79 in the manual. r0 = low, r1 = up1, and r2 =
up2.
-Justin
--
========================================
Justin A. Lemkul
Ph.D. Candidate
ICTAS Doctoral Scholar
MILES-IGERT Trainee
Department of Biochemistry
Virginia Tech
Blacksburg, VA
jalemkul[at]vt.edu | (540) 231-9080
http://www.bevanlab.biochem.vt.edu/Pages/Personal/justin
========================================
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