Hi,<div><br></div><div>I have successfully converted my CG (only) protein model to FG model using g_fg2cg command of the gromacs_reverse package. But now when I try to compile my .mdp file for SA run, grompp is throwing some warnings:</div>
<div><br></div><div><div>creating statusfile for 1 node...</div><div><br></div><div>Back Off! I just backed up mdout.mdp to ./#mdout.mdp.2#</div><div>WARNING 1 [file fg_protein.mdp, line unknown]:</div><div> Unknown left-hand 'cap_force' in parameter file</div>
<div><br></div><div>WARNING 2 [file fg_protein.mdp, line unknown]:</div><div> Unknown left-hand 'cap_a' in parameter file</div><div><br></div><div>WARNING 3 [file fg_protein.mdp, line unknown]:</div><div> Unknown left-hand 'fc_restr' in parameter file</div>
<div><br></div><div>WARNING 4 [file fg_protein.mdp, line unknown]:</div><div> Unknown left-hand 'r_CGW' in parameter file</div><div><br></div><div>WARNING 5 [file fg_protein.mdp, line unknown]:</div><div> Unknown left-hand 'fc_restrW' in parameter file</div>
<div><br></div><div>WARNING 6 [file fg_protein.mdp, line unknown]:</div><div> Unknown left-hand 'rel_steps' in parameter file</div><div><br></div><div>WARNING 7 [file fg_protein.mdp, line unknown]:</div><div> Unknown left-hand 'rel_water' in parameter file</div>
<div><br></div><div>checking input for internal consistency...</div><div>calling /lib/cpp...</div><div>processing topology...</div></div><div>---------------------------------------------------------------------------------------------------------</div>
<div><br></div><div>My system contains only multiple copies of a protein. How to solve this issue?</div><div>Any suggestion is welcome.</div><div><br></div><div><br></div><div>Thanks,</div><div><br></div><div>-Anirban</div>