Hello,
When I calculate the rmsd value with ptraj on AMBER 11 (rms first out rms
.CA,C,N) the value jumps from 2 to 25 and then 25 to 500. What would cause
these jumps to occur and how do I fix the rmsd calculation so these jumps
do not occur?
Thanks,
Katie
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Received on Thu Jun 28 2012 - 12:30:02 PDT
