[gmx-users] regarding continuation of a simulation

[Mark Abraham]

raghava alapati wrote:
> hi..
>  
>           General i use " tpbconv " for continuing a simulation in a 
> single node. Can i use the same command for continuing a simulation in 
> parallel if so, how do i encounter the no. of processors to be used in 
> parallel. 

No. tpbconv writes a continuation, which is invariant except for 
simulation length. To change run input parameters or the number of 
processors, you must use grompp. See 
http://wiki.gromacs.org/index.php/Doing_Restarts#Using_tpbconv

Mark