[gmx-users] change in energy minimization
kumari.indu31 at gmail.com
Mon Nov 10 07:17:44 CET 2014
Check the dt of em.mdp file and vary it accordingly.
On Mon, Nov 10, 2014 at 10:46 AM, md kashif <kashifzamir180.mk at gmail.com>
> Dear all
> I am new user and stuck with the energy minimization conflict.
> I am following the gromacs tutorial (
> 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
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