Hi. I am new to Gromacs and I am following the tutorial on http://wwwuser.gwdg.de/~ggroenh/SaoCarlos2008/html/build.html#top I have managed to get the DNA into a water box. When I run genbox I use the ffamber_tip4p.gro water model. When I then run: grompp -f neutralize.mdp -c solved.pdb -p topol I get this fatal error: where neutralize.mdp is from the website above.
------------------------------------------------------- Program grompp, VERSION 4.0.5 Source code file: readir.c, line: 1463 Fatal error: Invalid T coupling input: 0 groups, 2 ref_t values and 2 tau_t values ------------------------------------------------------- I have been searching for an explanation to this error but haven't found anything. Can somone please help. Thanks.
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