Dear GROMACS experts,
(Relevant files can be found on https://copy.com/7DMkn6OxJBqEZtqh)
I have been told in the error file:
... ...
Reading frame1700 time 17000.000
Reading frame1800 time 18000.000
Reading frame1900 time 19000.000
Reading frame2000 time 2.000
On 6/20/15 11:04 AM, Zhang, Cheng wrote:
Dear GROMACS expert,
(Relevant files can be found at https://copy.com/7DMkn6OxJBqEZtqh)
I still encountered error of Floating point exception(core dumped) when running
g_rms -s md_0_1.tpr -f md_0_1.xtc on my Ubuntu. In the prompt, it stopped and
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
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:
