<div dir="ltr">Hi,<br><br>You are on the right track .....actually the problem lies with dmso.itp which comes with original gromacs package...in that one column of mass is missing just after column of charge value...so you just add them and then it will work fine. (For hint you go through meoh.itp!)<br>
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---------------------------------------------------------------------------- <br><br><br><br><div class="gmail_quote">On Tue, Aug 19, 2008 at 3:23 PM, Justin A. Lemkul <span dir="ltr"><<a href="mailto:jalemkul@vt.edu">jalemkul@vt.edu</a>></span> wrote:<br>
<blockquote class="gmail_quote" style="border-left: 1px solid rgb(204, 204, 204); margin: 0pt 0pt 0pt 0.8ex; padding-left: 1ex;"><div class="Ih2E3d"><br>
<br>
prasun kumar wrote:<br>
<blockquote class="gmail_quote" style="border-left: 1px solid rgb(204, 204, 204); margin: 0pt 0pt 0pt 0.8ex; padding-left: 1ex;">
I have already included the dmso.itp file.still I am getting the error<br>
atom type SD not found<br>
thanx in advance for helping me<br>
<br>
</blockquote>
<br></div>
I don't know why (grompp?) is looking for atom type SD, when the atom *type* is SDmso, but the atom *name* is SD. Are you sure you have made no modifications to the .itp file? Can you show us the .itp file and .top you are using?<br>
<br>
Otherwise we are left to guess that something entirely unexplainable is going on.<br>
<br>
-Justin<br>
<br>
<blockquote class="gmail_quote" style="border-left: 1px solid rgb(204, 204, 204); margin: 0pt 0pt 0pt 0.8ex; padding-left: 1ex;">
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PRASUN (ASHOKA)<br>
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Virginia Tech<br>
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