Dear sir
wish you are fine !
I want to align about 1000 .rst7 frames of a protein to the first frame
into one .crd file in order to create a movie with VMD, I tried many
cpptraj commands as the following but the protein keeps jumping or
rotating or trans-locateing in the created movies .
I will be so grateful for you if you advice me with the right command to do
so.
trajin mol0.rst7
...
trajun mol1000.rst7
reference mol0.rst7
rms reference 1 175
trajout all_frames.crd
&
trajin mol0.rst7
...
trajun mol1000.rst7
center:1
trajout all_frames.crd
&
trajin mol0.rst7
...
trajun mol1000.rst7
unwrap
trajout all_frames.crd
Best Regards
Hadeer ELHabashy
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Received on Fri Jun 26 2015 - 04:30:04 PDT
