Dear amber
I was calculating phase angles of pseudorotations for ribose sugar residues of a protein-DNA complex with ptraj.
here is my ptraj input :
trajin dna.mdcrd
pucker res2 :3.C1' :3.C2' :3.C3' :3.C4' :3.O4' out phaseangle.dat
But the computing result of pseudorotation angle is between -180 degree and 180 degree. However, when i was reading the Altona et al. JACS(1972),94,8295 paper, I found that the range of pseudorotation angle is 0-360 degrees. So, i was comfused . I do not know how i can transform my result into the range of 0-360 degrees.
please correct me if i am wrong. Thank a lot for any advice
chen
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Received on Sat Sep 10 2011 - 02:00:03 PDT
