Dear all
I want to compute the order parameter using Amber11 version. For this I use the following script file:
trajin S-MD23-1.mdcrd
vector v0 :1.C ired :1.O
vector v1 :110.CA ired :110.C
vector v2 :114.CA ired :114.CZ
matrix ired name m1 order 2
analyze matrix m1 vecs 1 order orderparamfile M_Test1A.out out M_Test1B.out
But the result shows that the order parameter for all three vectors is 1 which is very unlikely. The out put file is as follows:
************************************
- Calculated iRed order parameters -
************************************
vector S2
----------------------
0 1.00000
1 1.00000
2 1.00000
I think I have done any mistake. Please help me.
With best regards
Sindrila
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Received on Wed Jan 25 2012 - 08:00:03 PST
