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superimposing_residues_from_a_trajectory_using_cpptraj

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superimposing_residues_from_a_trajectory_using_cpptraj [2016/07/27 15:27]
root created
superimposing_residues_from_a_trajectory_using_cpptraj [2016/07/27 15:32] (current)
root
Line 1: Line 1:
-**Superimposing residues from a trajectory using cpptraj**+===== Superimposing residues from a trajectory using cpptraj ​===== 
 + 
 +Execute the following input file (e.g. ''​trajin.in''​) using cpptraj to generate the multiPDB ​**hairpin.MD.pdb**. 
 + 
 +//cpptraj -p hairpin.top < trajin.in//​ 
 + 
 +''​trajin hairpin.md1.rst.bz2''​\\ 
 +''​trajin hairpin.md500.rst.bz2''​\\ 
 +''​trajin hairpin.md1000.rst.bz2''​\\ 
 +''​trajin hairpin.md1500.rst.bz2''​\\ 
 +''​trajin hairpin.md2000.rst.bz2''​\\ 
 +''​trajin hairpin.md2500.rst.bz2''​\\ 
 +''​trajin hairpin.md3000.rst.bz2''​\\ 
 +''​reference hairpin.crd''​\\ 
 +''​rms reference :​6-9,​31-34''​\\ 
 +''​center :6-9,31-34 mass origin''​\\ 
 +''​image origin center familiar''​\\ 
 +''​strip :​WAT,​Na,​Cl''​\\ 
 +''​trajout hairpin.MD.pdb''​\\ 
 +''​go''​\\ 
superimposing_residues_from_a_trajectory_using_cpptraj.txt · Last modified: 2016/07/27 15:32 by root