[AMBER] Deletion of H atoms from pdb file used for MD simulations

From: muhammad tahir ayub <tahirgp0.gmail.com>
Date: Wed, 15 Apr 2015 11:35:51 +0500

Dear All
              While editing the pdb we need to delete the hydrogens, I have
used the following commands but all the hydrogens were not deleted

reduce -trim pdbnameH > pdbname



*awk '$1=="ATOM" && substr($3,1,1)!="H"' input.pdb > output.pdb*


*what can i do for the deletion of all Hydrogen atoms from the pdb
filekindly help me in this regard*


*Thanks in advance*
*Muhammad Tahir*
*Ayub*

*Junior Research Fellow*

*H.E.J Research Institute of Chemistry*

*International Centre for chemical and Biological Sciences*

*University of Karachi, Pakistan*
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Received on Wed Apr 15 2015 - 00:00:04 PDT
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