[gmx-users] Re: QM/MM simulations

Justin Lemkul jalemkul at vt.edu
Tue May 14 18:25:40 CEST 2013

On 5/14/13 12:07 PM, DavidPO wrote:
> Thank for your answer.
> But it change nothing.
> To tell the truth, I rather young user of linux. May be it  is the problem
> with flags? I can't be sure, that I did all right.

Neither can we, unless you provide us with exactly what you did and what the 
output was.  It should be apparent from CMakeCache.txt what options were used, 
and the screen output should indicate success or failure in terms of finding 
required components.



Justin A. Lemkul, Ph.D.
Research Scientist
Department of Biochemistry
Virginia Tech
Blacksburg, VA
jalemkul[at]vt.edu | (540) 231-9080


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