[gmx-users] Extending MD run

Mark Abraham Mark.Abraham at anu.edu.au
Mon Nov 19 02:09:34 CET 2007


Itamar Kass wrote:
> Thank Justin,
> 
> Still I am wondering about the grompp option, 'cause this is what I use 
> most. You my also say I am invested in this (in CPU time manner).

You being cryptic doesn't serve your purpose of getting useful free help 
:-)

Justin's advice was correct but incomplete, in that grompp also has a 
-time option you can use. The advice on the URL he provided will answer 
both this and your other questions, as would reading the GROMACS manual 
and/or man page :-)

Mark



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