In leap try 'help addions'. You didn't specify the ion.
Bill
<div>-------- Original message --------</div><div>From: Marcelo Andrade Chagas <andrade.mchagas.gmail.com> </div><div>Date:09/22/2015 11:52 AM (GMT-08:00) </div><div>To: AMBER Mailing List <amber.ambermd.org> </div><div>Subject: [AMBER] Addions Na+ </div><div>
</div>Dear AMBER of the list,
nando
I'm trying to neutralize my system by adding ions such as Na +
counter ions,
however, using the following
In addions mol 0
it's not working.
How to?
It needs to charge amberparams file for these monovalent ions or the
addition is a single command line in xleap ???
Best regards
Marcelo Andrade Chagas, MSc
(PhD student)
Laboratório de Química Computacional e Modelagem Molecular - LQC-MM
*
http://lqcmm.qui.ufmg.br/
Departamento de Química da Universidade Federal de Minas Gerais - UFMG
Tel:(31)3409-5776
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Received on Tue Sep 22 2015 - 12:30:02 PDT
