[gmx-users] unit conversions

Justin A. Lemkul jalemkul at vt.edu
Fri Sep 17 23:20:53 CEST 2010

Ramachandran G wrote:
> Hi gmx-users,
>     I would like to know the units conversion of epsilon, sigma (from 
> non-bonded, Van der Waal interaction)  from Charmm or MOIL to gromacs.
> Thank you.

My guess would be that each of the respective manuals would discuss whatever 
unit conventions are utilized.  As far as Gromacs is concerned, Chapter 4 
contains information about such matters, as well as Table 5.2 (and sections nearby).


> with regards,
> Rama


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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