-----Original Message-----
From: David A Case <david.case.rutgers.edu>
Sent: Monday, August 3, 2020 9:07 AM
To: AMBER Mailing List <amber.ambermd.org>
Subject: Re: [AMBER] how to calculate net charge of "molecule" using the command "netCharge"
On Sun, Aug 02, 2020, Billiot, Eugene wrote:
>
>When I try to run what I think is the correct command "parmed netCharge
>-p ULV_mic.prmtop" , I get the error shown below of "IOError: netCharge
>does not exist". Can somine please tell me what I am doing wrong.
Type 'parmed -p ULV_mic.prmtop'; the type 'netCharge' at the prompt.
Typing 'parmed --help' should be of use: it indicates that parmed can take a file ('script') containing parmed commands. It does not support just putting commands themselve on the command-line.
