[gmx-users] error for runing second simulation using the topology file

[s lal badshah]

Dear Experts,
  Hi ! I am simulating a protein of about 185 residues.I did MD production of it of 500,000 nsteps at temperature of 310k. Now I want to simulate it at 283k I used the same topology and gro file already used for the first mentioned temp.But when I used these and give the command
  grompp -f md283.mdp -p topol.top -c myrestart.gro -o md283.tpr
   
  The following error is given
  Fatal Error: Atom 1 in multiple T-coupling groups ( 1 and 2 )
   
  While it is also written above that
  topol.top: 26779:22: Warning: no newline at the end of file
  Processing topology
   
  Please guide me.
  Hoping for a reply regards,
  Lal badshah.


SYED LAL BADSHAH 
M.Phil Scholar 
NCE in Physical Chemistry, 
University of Peshawar. 
NWFP,Pakistan. 
Cell # 03349060632.
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