[gmx-users] extend MD runs

[deepa rajamani]

Hi,

What would be the best way to extend MD runs. I have the following issues

1. I would like to break up long MD runs into shorter runs.
2. I want to minimize the slow backbone shift that occurs when I restart
the simulations from the last saved frame of the previous run
3. I place hormonic constraints on the backbone atoms to avoid large
movements of backbone, but there obviously, is a slow shift when I do MD
in short runs instead of one long MD.

Thanks
Deepa Rajamani