AMBER Archive (2009)

Subject: [AMBER] Antechamber

From: kureeckal ramesh (kureeckalramesh_at_yahoo.co.in)
Date: Thu Feb 19 2009 - 19:36:03 CST

Hi Amber Users

1) In the AMBER tutorial (setting up advanced system for charge derivation :Calculate Electrostatic Potential ), how to get the file inputs (floB_hf.gin,
floF_hf.gin) so that I can get the file out puts (floB_hf.gout,

floF_hf.gout)

2) I would like to know whether antechamber command (./antechamber) of AMBER10 be used for generating files such as: resp.in; resp.qin and esp.dat.

3) Also it is mentioned in AMBER7 manual that "Gaussian keywords should be in quotes". Does the antechamber generates file outputs such as *.gin and *..gout

I request you to kindly help me in this

With regards

Ramesh K V

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