[AMBER] stopping simulation in between

From: onetwo <twoone21.rediffmail.com>
Date: 2 Jul 2013 13:22:29 -0000

Dear All,

I have a query, that i have been running a simulation of 10ns. As I have only 8 processors on the system, simulation is running very slow, and when i check using ptraj, it is giving rmsd between 1 to 1.5 from 1.5ns to 5ns. I want to stop the simulation. and do the analysis on the simulated protein.

So, how can i stop the simulation in between. and the output will be *.rst file that we have to use for analysis.

Please help.

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Received on Tue Jul 02 2013 - 06:30:03 PDT
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