On 6/20/15 4:48 PM, Dan Sponseller wrote:
For my main MD experiment, I run just the energy group System. This is fine.
Then I take one configuration and run a minimization. For the minimization, I
have two energy groups: peg2000 (my polymer), and Water so that I can inspect
interaction energ
For my main MD experiment, I run just the energy group System. This is fine.
Then I take one configuration and run a minimization. For the minimization, I
have two energy groups: peg2000 (my polymer), and Water so that I can inspect
interaction energies.
Here is the output from gmx energy:
Ene
