Hi, 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:
creating statusfile for 1 node... Back Off! I just backed up mdout.mdp to ./#mdout.mdp.2# WARNING 1 [file fg_protein.mdp, line unknown]: Unknown left-hand 'cap_force' in parameter file WARNING 2 [file fg_protein.mdp, line unknown]: Unknown left-hand 'cap_a' in parameter file WARNING 3 [file fg_protein.mdp, line unknown]: Unknown left-hand 'fc_restr' in parameter file WARNING 4 [file fg_protein.mdp, line unknown]: Unknown left-hand 'r_CGW' in parameter file WARNING 5 [file fg_protein.mdp, line unknown]: Unknown left-hand 'fc_restrW' in parameter file WARNING 6 [file fg_protein.mdp, line unknown]: Unknown left-hand 'rel_steps' in parameter file WARNING 7 [file fg_protein.mdp, line unknown]: Unknown left-hand 'rel_water' in parameter file checking input for internal consistency... calling /lib/cpp... processing topology... --------------------------------------------------------------------------------------------------------- My system contains only multiple copies of a protein. How to solve this issue? Any suggestion is welcome. Thanks, -Anirban
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