[gmx-users] Use different fudgeLJ and fudgeQQ values in simulations with the AMBER force field

Stephane Abel Stephane.Abel at cea.fr
Thu Apr 28 14:30:09 CEST 2011

Dear gmx users,

Recently I have parametrized a new force field for glycolipid molecules 
based on the GLYCAM parameters. I would like to use it with the 
AMBER99SB-ILDN force field in gromacs for simulations of peptides and 
glycolipds. As you know GLYCAM uses two different values for fudgeLJ and 
fudgeQQ (e.g. set to 1.0) instead of 0.5 and 0.8333 values. So it is 
possible to define two different fudgeLJ and fudgeQQ values in GROMACS 
(as in AMBER11, for example) for the micelle and the peptides.

I have found an old response (2007) in the list archive for a old 
version of gromacs


Since this response have been posted 4 years ago, i am not sure that 
this approach can be also use with the current version of gromacs ?
Thank you in advance for your response


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