AMBER: Antechamber, net molecular charge

From: gurpreet singh <>
Date: Mon, 10 Mar 2008 10:21:58 +0530

Respected users

I am using version 9.0 of AMBER. My question is regarding the prep file
generation using antechamber module in AMBER.

How important is to use the option of (nc) net molecular charge ( in case of
charge molecules) while using the command of antechamber to obtain the prepi

I tried the same command with and without mentioning the net molecular
charge option but did not find any difference in the two prep files.

So where that difference will come? or lets say if I did not mention that
option, is that a problem?



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Received on Wed Mar 12 2008 - 06:07:15 PDT
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