I assume, it is seeing your index.ndx file by default. So, check if that file exists and if so, make proper corrections.<br><br><div><span class="gmail_quote">On 3/15/06, <b class="gmail_sendername">Ashutosh Jogalekar</b> <
<a href="mailto:ajogale@emory.edu">ajogale@emory.edu</a>> wrote:</span><blockquote class="gmail_quote" style="border-left: 1px solid rgb(204, 204, 204); margin: 0pt 0pt 0pt 0.8ex; padding-left: 1ex;">I know this question has been discussed a number of times on the
<br>list, but almost everytime it has been discussed in reference to the<br>index file.<br>I am getting this error during grompp for the position restrained MD<br>even though I am not using any index file. The only groups I have are
<br>solvent and protein and accordingly, there are two columns for these<br>two in the tau_t and ref_t fields in the pr.mdp file:<br><br>tau_t= 0.1 0.1<br>tc_grps= protein sol<br>ref_t= 300 300
<br><br>my command is:<br><br>grompp -f pr.mdp -c test_b4pr.gro -p test.top -o test_em.tpr<br><br>In spite of this, the error is showing up again and again. The top<br>file also has a row only for protein and solvent.<br>
Help would be gladly appreciated as I cannot think of any reason<br>since all the files look ok.<br>Thanks very much<br>Ashutosh Jogalekar<br>Emory University<br><br><br><br>_______________________________________________
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</a><br></blockquote></div><br><br clear="all"><br>-- <br>Viswanadham Sridhara,<br>Graduate Research Assistant,<br>Old Dominion University, "VIRGINIA".<br>