[gmx-users] Membrane protein tutorial

[Mark Abraham]

Pawan Kumar wrote:
> Hello sir,
> 
> Thanks for your reply.
> I have used this .mdp file. Is there anything wrong in the mdp file 
> which I am using ?

No, but the manner in which you are using groups in that .mdp file isn't 
consistent with the way you've defined them in your index file - like I 
said last time:

>     You can't have the same atom in multiple groups used for the same
>     purpose within mdrun (e.g. T-coupling or energy). I guess you've
>     constructed your index file in a manner that is inconsistent with
>     your use of it.

The GROMACS error message could certainly be more helpful here - naming 
the groups and what you're using them for, but in your case this is not 
impeding your troubleshooting.

Mark