Continuing a simulation with older version

User discussions
1

GROMACS version: 2018.8
GROMACS modification: No

Hello everyone,

I have run a simulation with 2019.3 version of gromacs on a cluster and now want to continue it with version 2018.8 on another cluster. If I generate tpr file with the newer version, is it OK to continue it with the older version? As I have tried, no error I have got. As far as I have seen in the posts, it is said that it should be forward.

Thanks a lot for your help.

Best,
Azadeh

2

Hello,

GROMACS is only forward compatible, you should not try to continue the
simulation with the older version.

Also, there should have been error when you tried to restart the
simulation in the older version with a TPR from the newer version.

Cheers

Paul

1 Like
3

Dear Paul

Thanks a lot for your reply.

Yes, you are right, there is an error even if the tpr file is created by the new version. Sorry for the mistake.

Best,
Azadeh