AMBER Archive (2005)

Subject: Re: AMBER: a trivial question

From: Carlos Simmerling (carlos_at_ilion.bio.sunysb.edu)
Date: Thu Aug 04 2005 - 06:28:36 CDT

Linchen Gong wrote:

>Dear amber users:
> I have a trivial question that I do not understand. If I run a 100000 step MD simulation with a writing frequency to mdcrd file of 100, then howmany frames will the mdcrd contains?
> If I run another MD simulation with the restrt file of the former one. the total number of step is also 100000 and mdcrd writing frequency is still 100, howmany frames will be there in the mdcrd file and why?
> Since my computer shut down automaticly sometimes, I want to know the answer.
> Thanks a lot
>
>
>
>
divide nstlim by ntwx.

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