Hi,<br>I am new to this list and to gromacs.<br><br>I used a pdb file 1PLX from the PDB database and ran gromacs on it.<br>While running the g_rama function, I got the following error.<br><br>"Dihedral around 23,25 not found in topology. Using mult=3
<br>Dihedral around 25,28 not found in topology. Using mult=3<br>Dihedral around 30,32 not found in topology. Using mult=3<br>Dihedral around 32,35 not found in topology. Using mult=3<br>Dihedral around 37,39 not found in topology. Using mult=3
<br>Dihedral around 39,55 not found in topology. Using mult=3"<br><br>which means that out of 5 phi-psi dihedral combinations 3 of them were not found in the tpr file.<br>I used OPLS-AA force field.<br>Since, the most important information to me is the dihedral angles, getting this kind of error makes my run totally futile.
<br>If someone could help me get around this problem, I will be extremely grateful.<br><br>Thanking in advance...<br>Regards,<br>Abhishek<br>