Thanks Mark for reminding me about the existence of the log files.
Problem solved, the difference is clearly indicated (number of atoms, my stupid
mistake.
Cheers
/Per
> 24 apr. 2019 kl. 16:51 skrev Mark Abraham :
>
> Hi,
>
> Generally the REMD code has written some analysis to the log
Hi gmx-users,
I am trying to start a replica exchange simulation of a model peptide in water,
but can’t get it to run properly.
I have limited experience with REMD, so I thought I’d ask here for all the
rookie mistakes it is possible to do.
I have also seen the earlier discussions about the
