HelloI have prepared .prmtop, .inpcrd and pdb files of protein ligand complex in water. Now i want to run energy minimization. i just want to know whether i should do it with sander or namd and if sander is used can i further continue it on namd. how far are these two compatible. And is there easy way to generate PSF of this complex from pdb to run in namd.
Thanks
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Received on Sun May 04 2014 - 00:00:02 PDT
