<html>
<head>
<meta content="text/html; charset=ISO-8859-1"
http-equiv="Content-Type">
</head>
<body bgcolor="#FFFFFF" text="#000000">
According to the roadmap that you mentioned, the first thing to do
is to change a little bit some parts of the g03 code, and
reinstalling it from this new source. So, you can do it only if your
g03 license includes access to the source code.<br>
<br>
If not, you can try other QM packages, such as ORCA, where there
almost no extra work but a standard installation of ORCA and some
issues when launching the job that you'll find in the GROMACS
website.<br>
<br>
Javier<br>
<br>
El 18/05/12 13:04, Ravi Kumar Venkatraman escribió:
<blockquote
cite="mid:CA+c-nQype51fdG4KvZ9t9QiAMNhq0-QSmFFYt9VX4HfLn=MKUg@mail.gmail.com"
type="cite">Dear all,<br>
Could anybody help me installing the gromacs with g03
which is already installed in a cluster. Please help me in this
regard. I tried to follow the roadmap for QMMM with g03 but
nothing I could understand. Please help me where to start for
installing the gromacs with g03.<br>
<br>
Thank you <br>
<br>
<b>With Regards,<br>
Ravi Kumar Venkatraman,<br>
IPC Dept., IISc,<br>
Bangalore, INDIA.<br>
<br>
<span style="color:rgb(0,102,0)">+91-9686933963.</span></b><br>
<br>
<br>
<fieldset class="mimeAttachmentHeader"></fieldset>
<br>
</blockquote>
<br>
<div class="moz-signature">-- <br>
Javier CEREZO BASTIDA<br>
PhD Student<br>
Physical Chemistry<br>
Universidad de Murcia<br>
Murcia (Spain)<br>
Tel: (+34)868887434
</div>
</body>
</html>