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.
Thanks! Yan On Sun, May 24, 2009 at 10:34 AM, David van der Spoel <[email protected]>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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