[gmx-users] Restart to continue a free energy calculations

[Alexander Alexander]

Dear gromacs user,

My binding free energy calculation crashed while it was in the middle of
the one of the lambda_state because of the time limit, I was wondering if
it is possible to restart a crashed free energy calculation to continue
around crashed pont without loosing accuracy and information?

Or is it possible to extend a successfully compleated free energy
calculation for the longer time?

I know that both of mentioned case are simply doable in a normal MD job.

Concerning to the precision of the new geromacs versions(e.g version 5.1.2)
, could you please confirm me that the Single, Mixed and double precision
are available or it is just Mixed and double precision?

Thanks.

Regards,
Alex