[gmx-users] change in energy minimization

[Indu Kumari]

Gd morning,

Check the dt of em.mdp file and vary it accordingly.

With regards,
Indu

On Mon, Nov 10, 2014 at 10:46 AM, md kashif <kashifzamir180.mk at gmail.com>
wrote:

> Dear all
> I am new user and stuck with the energy minimization conflict.
> I am following the gromacs tutorial (
>
> http://www.bevanlab.biochem.vt.edu/Pages/Personal/justin/gmx-tutorials/index.html
>  ,lysozyme
> in water) for my protein and getting the energy minimized protein with
> Epot= -1.5248922e+06  is this value correct? I have used mdp files same as
> given in the sample tutorial.
> Kindly reply
>
> regards
> Kashif
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