Dear amber users,
I am trying to calculate charge and force field parameters for
heme,Fe(III) PPIX,with H2O as a five ligand by Antechamber program,
but my run failed by "unrecognized atomic name DU, exit. my initial
input file is optimaized strucure of complex by Gaussian program.
Would you please help me in this relation and what can I do.
With best regards
-----------------------------------------------------------------------
The AMBER Mail Reflector
To post, send mail to amber.scripps.edu
To unsubscribe, send "unsubscribe amber" to majordomo.scripps.edu
Received on Wed Aug 01 2007 - 06:07:19 PDT