[gmx-users] Conversion

Justin A. Lemkul jalemkul at vt.edu
Sat Jul 18 19:36:41 CEST 2009

P.R.Anand Narayanan wrote:
> Dear gromacs users,
> How can I convert a certain "concentration" of a compound (say in mg/ml) 
> to be used in my simulations, into "number of molecules" to be added in 
> the system???

Basic general chemistry: from mg/mL to molarity, then to number of molecules per 
  unit volume.


> Please help.
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Justin A. Lemkul
Ph.D. Candidate
ICTAS Doctoral Scholar
Department of Biochemistry
Virginia Tech
Blacksburg, VA
jalemkul[at]vt.edu | (540) 231-9080


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