[gmx-users] question about force field parameter

Yan Chai chai.yan.em at googlemail.com
Sun May 24 13:21:17 CEST 2009


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
<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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