<table cellspacing="0" cellpadding="0" border="0" ><tr><td valign="top" style="font: inherit;">Hello,<br><br>I have a Manganese ion in my protein, for which i want to run MD simulation.<br>Could
you please help me to know how to generate topology file for Manganese
and which force field to use, as none of the force field in Gromacs
supports Mn ion.<br>Please Help<br>Regards<br><br><div>--<br>Sonali Dhindwal</div><br><br>--- On <b>Wed, 24/3/10, sonali dhindwal <i><sonali11dhindwal@yahoo.co.in></i></b> wrote:<br><blockquote style="border-left: 2px solid rgb(16, 16, 255); margin-left: 5px; padding-left: 5px;"><br>From: sonali dhindwal <sonali11dhindwal@yahoo.co.in><br>Subject: Query regarding toplogy of Manganese ion in protein<br>To: gmx-users@gromacs.org<br>Date: Wednesday, 24 March, 2010, 5:35 PM<br><br><div id="yiv134563059"><table border="0" cellpadding="0" cellspacing="0"><tbody><tr><td style="font-family: inherit; font-style: inherit; font-variant: inherit; font-weight: inherit; font-size: inherit; line-height: inherit; font-size-adjust: inherit; font-stretch: inherit;" valign="top">Hello,<br><br>I have protein in my protein, for which i want to run MD simulation.<br>Could you please help me to know how to generate topology file for Manganese and which force field
to use, as none of the force field in Gromacs supports Mn ion.<br>Please Help<br>Regards<br><br><div>--<br>Sonali Dhindwal</div><br></td></tr></tbody></table><br>
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