[gmx-users] Question about "nsttcouple"

Size Zheng alexzheng42 at gmail.com
Tue Jan 17 09:53:47 CET 2012

Dear All,

We are doing a simulation for ice melting in Efield with thermostat, and we would like to control the frequency for coupling the temperature by setting "nsttcouple". But we always received a warning said it was a unknown parameter during "grompp" in GROMACS V4.0.7 on LINUX. I also tried it by GROMACS V4.5.4 on my MAC OS, it was done successfully. Unfortunately, our HPC uses GROMACS V4.0.7, so it is a problem for us.

Is there anything we did incorrectly? Any suggestions?

Many thanks,


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