[gmx-users] mdrun with multi option

[Debdip Bhandary]

Dear Users,

I have doubts regarding simulating multiple systems using mdrun '-multi' 
option.

I have seen that people have used this option for replica exchange (with 
'-replex' option, of course) where information are exchanged between the 
systems. In case of different systems (such as different windows in 
Umbrella sampling simulations, liquid water systems at different 
temperatures, etc.), as per my understanding (from user manual), there 
is no exchange of information between the systems and simulations are 
run without any influence of each other. Am I correct here? or is there 
any issue when different systems are simulated using -multi/multidir 
options? Any information regarding this would be appreciated.

Thank you in advance.

Best regards,
Debdip Bhandary