Can you send me the parameters I need to use....for FE....<br><br><br><div class="gmail_quote">On Mon, Apr 16, 2012 at 2:55 PM, francesco oteri <span dir="ltr"><<a href="mailto:francesco.oteri@gmail.com">francesco.oteri@gmail.com</a>></span> wrote:<br>
<blockquote class="gmail_quote" style="margin:0pt 0pt 0pt 0.8ex;border-left:1px solid rgb(204,204,204);padding-left:1ex"><div>Hi,</div>You have to had LJ parameters in ffnonbonded.itp file in the subfolder relative to your force-field<div>
<br></div><div>Francesco<br><br><div class="gmail_quote">Il giorno 16 aprile 2012 11:08, Kamalesh Roy <span dir="ltr"><<a href="mailto:roy.kamaleshmd@gmail.com" target="_blank">roy.kamaleshmd@gmail.com</a>></span> ha scritto:<br>
<blockquote class="gmail_quote" style="margin:0pt 0pt 0pt 0.8ex;border-left:1px solid rgb(204,204,204);padding-left:1ex"><div><div class="h5">CAn any one siggest me how can I run simulation a protein containing Fe atom,<br>
I have changed the iions.itpfile and included there Fe in residue type.dat <br>
bu still it is returning an error.<br><br>FE parameter not found.<br>
<br></div></div><span class="HOEnZb"><font color="#888888">--<br>
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<br clear="all"><div><br></div>-- <br>Cordiali saluti, Dr.Oteri Francesco<br>
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