Dear amber users:
I use ptraj to do rms analysis, my reference file is not complete, its residue number is 1-14 and 43-104, my script is as follows:
trajin nptm504.dcd 1 1000 50
reference m_addh.pdb
rms reference ":50-70.C,CA,N" out rmsm_addh.dat time 100
but when I check the out file, it seems extremely high, I remember the ptraj can do rms fit using incomplete file, but what is the problem I encoutered?
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Received on Thu Jan 14 2010 - 04:30:03 PST
