[gmx-users] bond lost (II)
Mark.Abraham at anu.edu.au
Mon Sep 18 08:22:09 CEST 2006
> about the second question,is that ,when i use the md as integrator,the
> feedback show the atomnumber of gro was not the same as top which show 0
> atom? but when i use the l-bfgs as integrator, there was no wrong,and
> goes smoothly!
> and i never know why!
Neither will we know, unless you can do as I suggested last time - "You
need to describe the problem fully, include contents of small files
where appropriate, and quote the feedback you get from the gromacs tools."
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