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Date: Fri, 02 Dec 2005 15:21:04 -0300
From: =?ISO-8859-1?Q?Alcides_Sim=E3o?= <alsimao@gmail.com>
Subject: [NWCHEM] Membrane Modelation
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Hello!
I am trying to build up a input file that is able to model a membrane made
up of phospholipids, interacting with water.
The question is that it seems that that task can only be achieve by someone
who is deep into NWCHEM, not by someone who has just started using NWChem.
I dearly ask that someone please teach me how to carry out a Molecular
Mechanic calculation of a membrane in NWChem, and if it is possible, using
MM methodes, to subject the membrane to a constant electric field. Also, i
would like to carry out some MM methods of the membrane interacting with
water.
Since i can't work with ECCE ( i am a Windows user, and ECCE doesn't run
under Cygwin) i am a bit lost on how to build the input file.
Can someone please help me?

Best Regards

Alcides

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Hello!<br>
I am trying to build up a input file that is able to model a membrane made =
up of phospholipids, interacting with water.<br>
The question is that it seems that that task can only be achieve by
someone who is deep into NWCHEM, not by someone who has just started
using NWChem.<br>
I dearly ask that someone please teach me how to carry out a Molecular
Mechanic calculation of a membrane in NWChem, and if it is possible,
using MM methodes, to subject the membrane to a constant electric
field. Also, i would like to carry out some MM methods of the membrane
interacting with water. <br>
Since i can't work with ECCE ( i am a Windows user, and ECCE doesn't
run under Cygwin) i am a bit lost on how to build the input file.<br>
Can someone please help me?<br>
<br>
Best Regards<br>
<br>
Alcides <br>

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