AMBER Archive (2008)

Subject: AMBER: Antechamber, net molecular charge

From: gurpreet singh (gps.iitm_at_gmail.com)
Date: Sun Mar 09 2008 - 23:51:58 CDT

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
file.

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?

Thanks

Regards
Gurpreet

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