On 17/01/2012 7:53 PM, Size Zheng wrote:
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.
Functionality changes from version to version, and you are observing
that here.
Is there anything we did incorrectly? Any suggestions?
Install a more recent version. It's (much) less than an hour's work for
an experienced sysadmin, and runs faster as well.
Mark
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