On 12/7/12 4:06 PM, Andrew DeYoung wrote:
Hi,
In my .mdp file, I set "tcoupl = no" and "pcoupl = no". This way, I am
using the NVE ensemble. However, when I run grompp using this .mdp file,
the grompp output includes the following line:
Number of degrees of freedom in T-Coupling group rest
Hi,
In my .mdp file, I set "tcoupl = no" and "pcoupl = no". This way, I am
using the NVE ensemble. However, when I run grompp using this .mdp file,
the grompp output includes the following line:
Number of degrees of freedom in T-Coupling group rest is 261.00
My question is, why does the grompp
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