[gmx-users] CG to FG transformation error

[Anirban Ghosh]

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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