[gmx-users] Re: Question about embedding a force field with no torsion term
Mark.Abraham at anu.edu.au
Thu Nov 22 01:55:41 CET 2007
Bo Zhou wrote:
> Thanks, Mark. Can you tell me any more in detail?
No, because I don't know. However I know where to find out, and I
pointed you there.
> I am really somewhat
> confused about it. I want to cooperate this force field with oplsaa, but it
> looks strange that there is not any torsion energy at all but can have 1-4
> interactions. with " nrexcel=2", Do I still need 1-4 interactions made by
> the procedure of genning pairs? Thanks very much.
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