In charmm, How to merge multiple .crd files into a single .dcd file after least square fitting with the reference structure ?

06 June 2015 0 6K Report

Hi everyone,

I have 100 .crd files coarse grained and i want to orient (least square fit) each of that to an reference structure and save together as a dcd trajectory file.

My reference structure have 250 atoms and each .crd files have 252 atoms, the extra 2 atoms are ions. Please help me.

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