Hi everyone,
I've got the 1QS4.pdb file, downloaded from the pdb.org. I have already take
out the information of chain B and I want to calculate the B-factor of it. I
have written a shell script named "chainB.in" like this:
trajin chainB.crd
rms first out chainB.b :1-154.CA
atomicfluct out chainB.bfactor .CA byatom bfactor
go
But there's no result after running:*
ptraj chainB.parm7 ptraj_chainB*
I don't know what's wrong. Please give me some suggestion. Thank you in
advance!
Tianyuan
--
Bioengineering
School of Life Science and Technology
Xi'an Jiaotong University
Mailbox 2046 No.28 Xianning West Road
Xi'an, Shaanxi, 710049, P.R.China
mty.007.stu.xjtu.edu.cn
oceanrabbit.mty.gmail.com
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Received on Mon May 31 2010 - 19:31:23 PDT
