[gmx-users] 1-4 columb interaction

[Alok]

Thanks Qiao for your reply.

But If I am using genpair = no (GROMOS 96 force field) then there is no meaning of  fudgeLJ and fudgeQQ (correct me if I am wrong).

So more specific if I am using GROMOS96 force field then is there any scaling for 1-4 columb interaction??
if yes then how?


Regards,
Alok
  ----- Original Message ----- 
  From: Qiao Baofu 
  To: Discussion list for GROMACS users 
  Sent: Wednesday, September 20, 2006 7:17 PM
  Subject: Re: [gmx-users] 1-4 columb interaction


  In the force field file  ff***.itp, there are two terms to scale lj and coloumb after the option: generating pairs.


  2006/9/20, Alok <alokjain at iitk.ac.in >:
    Dear All,

    Is there any scaling for 1-4 columb interaction in gromacs force field if yes then how? is it also like LJ14 which uses separate set of parameters for 1-4 interaction?

    Manual only talked about separate parameters for LJ14 specifically for repulsion term, but in mailing list it was mentioned that there is always scaling for Columb-14 but how I am not able to get?

    Regards,
    Alok



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  -- 
  Sincerely yours,
  **********************************************
  Baofu Qiao, PhD
  Frankfurt Institute for Advanced Studies
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  60438 Frankfurt am Main, Germany TEL:+49-69-7984-7529 
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