Dear Gromacs Users!<br><br><br><br>I have some questions about insertion protein into membrane with Gmembed<br><br>1) I've used default parameters from gmembed manual for preparing input for insertion <br><br>integrator = md<br>
energygrp = Protein<br>freezegrps = Protein<br>freezedim = Y Y Y<br>energygrp_table<br>energygrp excl = Protein Protein<br><br>Here Protein is my protein group in topology.top<br><br><br>I've obtained 2 warning from gropp<br>
<br>WARNING 1 [file gmembed.mdp, line 27]:<br> Unknown left-hand 'energygrp' in parameter file<br><br><br><br>WARNING 2 [file gmembed.mdp, line 27]:<br> Unknown left-hand 'energygrp excl' in parameter file<br>
<br>What does it means ? If I ignore those warnings I've obtain<br><br>No energy groups defined. This is necessary for energy exclusion in the freeze group<br><br>May be I should define freezegrps as my lipid group not a protein or use ndx file as an alternative ?<br>
<br>Thanks,<br><br>James<br>