Hi Amber community,
With the advices of Fyd, I finally obtained the RESP charges for Acetate. Before to complete the tutorial with the dideptide example, I would like to compare my results with those obtained in the tutorial (especially for acetate and Methylammonium). Unfortunately I can't find the files generated by RED-vIII.pl. where are they ?
Thanks in advance for the helps
Stephane
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Stéphane Abel, PhD
CEA Saclay DSV/IBITEC-S/SB2SM
91191 Saclay, FRANCE
website: http://www.st-abel.com
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Received on Wed Dec 17 2008 - 01:17:03 PST
