Invalid T coupling input: 3 groups, 2 ref-t values and 2 tau-t values

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1

GROMACS version: 2023
GROMACS modification: Yes/No
Here post your question
Fatal error:
Invalid T coupling input: 3 groups, 2 ref-t values and 2 tau-t values
by this command gmx grompp -f nvt.mdp -c em.gro -r em. gro -p topol.top -n index.ndx -o nvt.tpr
I done all staps relatesd to equlibrum but this error i can not handale it can you plz help me

2

The error message is rather explicit. You have specified three groups via tc-grps but you have only supplied two ref-t and tau-t values. Three groups is probably too many, in general, but if you need specific help, you will have to provide the content of your .mdp file.

3

thanks I got it now I am able to run it but in mdrun it takes lots of time nearly two days for 50,000 steps is it important for do 50,000 steps can we over come this or not

4

Fatal error:
Invalid T coupling input: 3 groups, 2 ref-t values and 2 tau-t values
by this command gmx grompp -f nvt.mdp -c protein-em.gro -r protein-em. gro -p topol.top -n index.ndx -o nvt.tpr
I have done all steps related to equilibrium but this error i can not solve it ,can you please help me (Here I have specified two groups via tc-grps ,two ref- t and tau- t values)

5

You already posted this elsewhere.

6

Yes but this suggestion is not working