AMBER Archive (2008)

Subject: AMBER: RESP charge derivation using the Ante_R.E.D. and R.E.D. III

From: ABEL Stephane 175950 (Stephane.ABEL_at_cea.fr)
Date: Tue Dec 16 2008 - 05:28:56 CST

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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