[AMBER] The influence of parameters in md.in when restart a MD (from rst file)

From: windy <chxp_moon.163.com>
Date: Wed, 15 Apr 2015 22:05:31 +0800 (CST)

Dears,

    I used to restart a md trajectory from md.rst file, but how the right parameter setting?

    We know that md.rst file contain velocity messages, Then if I Set ig = -1, is the trajectory started using the rst file velocity messages or begain a trajectory by give it a random force? Anyone can confirm that?

     Then, are there any other parameters can ensure the consistence of MD trajectory ?

      Thanks for you answers.





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Received on Wed Apr 15 2015 - 07:30:02 PDT