[gmx-users] Error running gromacs tutorial

wangyue2018 at lzu.edu.cn wangyue2018 at lzu.edu.cn
Fri Oct 11 15:07:08 CEST 2019


Hi, I remember  mdp file control this problem.


Yue

Sent from my iPhone

> On Oct 10, 2019, at 5:24 PM, antonia vyrkou <avyrkou at gmail.com> wrote:
> 
> Does the minimization end normally or it crashes?
> 
> On Thu, Oct 10, 2019 at 9:27 AM Suprim Tha <shrestha.suprim123 at gmail.com>
> wrote:
> 
>> I was trying Gromacs based upon the tutorial on
>> http://www.mdtutorials.com/gmx/lysozyme/05_EM.html
>> However, when I run the command gmx mdrun -v -deffnm em, only em.log,
>> em.edr and em.tpr are formed but not em. trr and em.gro Without the energy
>> minimized .gro file, I cannot continue further. Please help me with this. I
>> have tried two different proteins and still I am stuck with the same step.
>> Thanks in advance.
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