[gmx-users] regarding continuation of a simulation

Mark Abraham Mark.Abraham at anu.edu.au
Tue Nov 6 00:46:49 CET 2007

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 


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