[gmx-users] question about force field parameter

[David van der Spoel]

Yan Chai wrote:
> Excuse me, I don't understand. Could you please explain more in details 
> on this? What do you mean to multiply by 4.184? I have seen many similar 
> numbers following the examples of bonds in the comment lines in the 
> force field files, but I never understood them.
> 
calories to joules

> Thanks!
> 
> Yan
> 
> 
> On Sun, May 24, 2009 at 10:34 AM, David van der Spoel 
> <spoel at xray.bmc.uu.se <mailto:spoel at xray.bmc.uu.se>> wrote:
> 
>     Mark Abraham wrote:
> 
>         Yan Chai wrote:
> 
>             On Sun, May 24, 2009 at 8:42 AM, Mark Abraham wrote:
> 
> 
> 
>                    ; -CH2-S-       0.7
> 
> 
>                This is a comment line.
> 
> 
> 
>             What's the meaning of the number 0.7 in this comment line?
> 
>     multiply by 4.184
> 
> 
> 
> 
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-- 
David van der Spoel, Ph.D., Professor of Biology
Molec. Biophys. group, Dept. of Cell & Molec. Biol., Uppsala University.
Box 596, 75124 Uppsala, Sweden. Phone:	+46184714205. Fax: +4618511755.
spoel at xray.bmc.uu.se	spoel at gromacs.org   http://folding.bmc.uu.se