[gmx-users] fudgeLJ and fudgeQQ setting in the *.itp file

Hi All, I was just wondering whether someone knows what are the considerations in choosing the values for* fudgeLJ* and *fudgeQQ* in the [defaults] section of the *.itp file. (these two factors multiply the 1-4 LJ interactions and the electrostatic interactions , respectively) the manual doesn'

RE: [gmx-users] FudgeLJ

correction works for Buckingham. Berk To: gmx-users@gromacs.org From: apal...@nd.edu Date: Mon, 3 Aug 2009 20:22:52 -0400 Subject: [gmx-users] FudgeLJ To whom this may concern, Is it possible to use FudgeLJ to scale 1-4 interactions when using a Buckingham Potential? Also, are long range corrections

[gmx-users] FudgeLJ

To whom this may concern, Is it possible to use FudgeLJ to scale 1-4 interactions when using a Buckingham Potential? Also, are long range corrections implemented for the Buckingham Potential? Thank you, Andrew ___ gmx-users mailing listgmx-

Re: [gmx-users] fudgeLJ / fudgeQQ are multiplicative factors

[EMAIL PROTECTED] wrote: Perhaps someone can add this to the next update of the manual (on page 101?) Without going to Jorgensen's 1988 JACS paper it is difficult to be sure that fudge means multiply and not divide, especially given the most common usage of the word "factor" and that e.g. Berger

[gmx-users] fudgeLJ / fudgeQQ are multiplicative factors

Perhaps someone can add this to the next update of the manual (on page 101?) Without going to Jorgensen's 1988 JACS paper it is difficult to be sure that fudge means multiply and not divide, especially given the most common usage of the word "factor" and that e.g. Berger Biophys. J. 1997 indicates