Chandan Choudhury wrote:
I had a simple query regarding the rtp file . What does the '+' and '-'
sign indicates in the following dihedral inforamtion:
[ dihedrals ]
CA C +N +H backbone_prop_1
O C +N +H backbone_prop_2
-C N CA CB backbone_prop_3
-C N CA C backbone_prop_4
CA C +N +CA backbone_prop_1
O C +N +CA backbone_prop_1
+ means next residue, - means previous.
Also, I cant understand the what is 'X' here in ffamberbon.itp:
X C C X 3 30.33400 0.00000 -30.33400 0.00000
0.00000 0.00000 ; new99
X C O X 3 23.43040 0.00000 -23.43040 0.00000
0.00000 0.00000 ; new99
X C OS X 3 22.59360 0.00000 -22.59360 0.00000
0.00000 0.00000 ; new99
X means any atom type, if I recall.
-Justin
Chandan
--
Chandan kumar Choudhury
NCL, Pune
INDIA
--
========================================
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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