Hi, <br>
<br>
I am trying to use grompp in the recently released 3.3 to treat a
system of protein and ligand. However, with the same itp files used in
3.2.1, there is error message saying that <br>
<pre>ERROR 2 [file "ligand.itp", line 185]:<br> Too many parameters<br>ERROR 3 [file "ligand.itp", line 186]:<br> Too many parameters<br>ERROR 4 [file "ligand.itp", line 187]:<br> Too many parameters
<br>...<br><br>I checked that line and it contains information for dihedrals (made by prodrg webserver)<br>[ dihedrals ]<br>; ai aj ak al fu c0, c1, m, ...<br> 3 1 4 13 2 35.3 334.8 0 35.3 334.8 0 ; imp C2* O2* C3* C1*
<br> 4 3 5 11 2 35.3 334.8 0 35.3 334.8 0 ; imp C3* C2* O3* C4*<br><br>Could you give me some suggestions? Thanks.<br><br>Lei Zhou <br>Columbia University<br>New York, NY<br><br><br></pre>