[gmx-users] gromacs

rajat desikan rajatdesikan at gmail.com
Sat Aug 30 09:42:26 CEST 2014

There is no problem in doing the simulation in parts as long as you
take care to ensure continuity by using .cpt files, etc. You can
concatenate the trajectory in the end for analysis.

On 8/30/14, Meenakshi Rajput <ashi.rajput39 at gmail.com> wrote:
> hello users
> Can anyone tell me that is it necessary to run a long simulation at one
> tme? or I can do it in parts. Like if i am doing for 1000ps, can i do 500
> at one tme and rest in next run? Would it give same results or its a wrong
> procedure?
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Rajat Desikan (Ph.D Scholar)
Prof. K. Ganapathy Ayappa's Lab (no 13),
Dept. of Chemical Engineering,
Indian Institute of Science, Bangalore

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