On 4/07/2012 6:45 PM, Hyungjun Kim wrote:
>Dear GMX users,
>
>This is Hyungjun Kim.
>
>I try to modify the len=ard jones parameter explicitly.
>
>I knew that gromacs provide the com=ination rule such as
>sigma_12=(sigma_1 + sigma_2 ) /2 like.
>
>I fin= that some specific int
Well,
Ill give that a shot from memory of a discussion some time ago, which you could
probably track down on the e-mails of past search engine. I think it has to do
with force field types, either they list the sigma values, or direct 6, 12 or
derived LJ parameters, so it would be related to w
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