[CPMD-list] Tool for CPMD-input creation

Rad Balu radbalu at comcast.net
Tue Apr 27 12:50:57 CEST 2004


Hi All,

Is there any tool to create input for the CPMD program. I am planning to use  
CPMD for getting the optimzed geometry for a protein(roughly 5000 atoms) in 
PDB format. I would like to know if there is an easy way  to create the input 
for CPMD from PDB.

Thanks

Rad Balu
Graduate Student in Computational Chemistry




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